SCHEMBL5779452

SCHEMBL5779452

Cc1cc[c]c(-c2cccc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP3 O14638 1/20 0.39
NOTUM Q6P988 1/20 0.39
IDO1 P14902 1/20 0.38
METAP2 P50579 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL193137 0.85 MAOB (0.39) ACHERAB9AHPGDNPC1TSHR
SCHEMBL10658674 0.85 ESR2 (0.42) IDO1ALDH1A1
SCHEMBL8081466 0.85 ACHE (0.50) ACHERAB9AHPGDNPC1TSHR
SCHEMBL2014176 0.85 ACHE (0.50) ACHERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL4279134 0.85 ACHE (0.50) ACHEALDH1A1CYP3A4HSD17B10
SCHEMBL5217872 0.85 ACHE (0.50) ACHERAB9ACYP3A4L3MBTL1
SCHEMBL11513961 0.85 MAOA (0.44) ACHERAB9AHPGDNPC1TSHR
SCHEMBL7138582 0.83 ACHE (0.36) ACHETSHRALDH1A1
SCHEMBL8093380 0.82 TP53 (0.38) ACHERAB9AHPGDTSHRNOTUM
SCHEMBL7832248 0.82 ACHE (0.53) ACHERAB9AHPGDNPC1TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030835-A1 Derivatives of 2-substituted-6-phenyl-3(2H)pyridazinone, their production and pharmaceutical compositions containing them MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1981-06-24 EP claimed
CN-114206854-B FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-24 CN disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-6777530-B1 CROSSLINKED OLIGO- AND POLYAMINES AS SOIL RELEASE AGENTS AND ENZYME STABILIZERS IN DETERGENTS AND CLEANERS BASF AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US disclosed
EP-0036834-B1 PROCESS FOR THE PREPARATION OF METAL COMPLEXES OF ISOINDOLINE AZINES CIBA-GEIGY AG (CH) 1983-12-07 EP disclosed
EP-0036835-B1 PROCESS FOR THE PREPARATION OF METAL COMPLEXES OF ISOINDOLINE AZINES CIBA-GEIGY AG (CH) 1983-09-28 EP disclosed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US disclosed
EP-0036835-A1 Process for the preparation of metal complexes of isoindoline azines CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0036834-A1 Process for the preparation of metal complexes of isoindoline azines CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0036388-A2 Isoindoline derivatives, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-09-23 EP disclosed