SCHEMBL90440

SCHEMBL90440

O=CNc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
TGM2 P21980 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
STAT1 P42224 1/20 0.42
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
MMP2 P08253 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APP P05067 1/20 0.39
SNCA P37840 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL27616318 0.97 ALDH1A1 (0.54) ALDH1A1LMNATSHRTGM2MEN1
SCHEMBL14368315 0.87 FFAR1 (0.46) ALDH1A1LMNATSHRRAB9AMAPT
SCHEMBL469386 0.86 ALDH1A1 (0.72) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL28813740 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTGM2MEN1KMT2A
2-Chloropyridine SCHEMBL29261719 0.77 TDP1 (0.50) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL9472659 0.76 ALDH1A1 (0.59) ALDH1A1LMNAMEN1KMT2A
SCHEMBL6671214 0.75 TGM2 (0.41) ALDH1A1LMNATGM2MEN1KMT2A
SCHEMBL12922670 0.75 KCNQ3 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL23513176 0.74 TGM2 (0.48) ALDH1A1LMNATSHRTGM2MEN1
SCHEMBL429152 0.74 ALDH1A1 (0.44) ALDH1A1LMNACA12CA1CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 335 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598766-A Method for preparing C-7-formamido substituted p-methylene quinone compound 湖南理工学院 2024-09-06 CN claimed
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118344283-A Trifluoromethyl unit-containing substituted 2-piperidone compound and synthesis method thereof 西南交通大学 2024-07-16 CN claimed
WO-2023036707-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-16 WO claimed
CN-114105805-A Method for preparing formamide compound under catalysis of titanium dioxide 陕西延长石油(集团)有限责任公司 2022-03-01 CN claimed
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP claimed
EP-0946538-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 WO claimed
WO-1998028290-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1998-07-02 WO claimed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 EP claimed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 WO claimed
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed
EP-0008731-B1 N-SULFENYL FORMANILIDES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1981-05-13 EP claimed