SCHEMBL874613

SCHEMBL874613

N#C[CH]Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
ALDH1A1 P00352 3/20 0.48
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ARG2 P78540 1/20 0.40
MAOA P21397 2/20 0.39
CALM1 P0DP23 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.37
TSHR P16473 3/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7643248 0.78 TSHR (0.43) MAOBALDH1A1TSHRKDM4E
SCHEMBL7525775 0.76 ALDH1A1 (0.42) MAOBALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL10563302 0.76 MAOB (0.61) MAOBALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL9718255 0.76 MAOB (0.61) MAOBALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL27688352 0.76 LOXL2 (0.52) MAOBALDH1A1CA2MAOAL3MBTL1
SCHEMBL11587355 0.75 MAOB (0.52) MAOBALDH1A1CYP1A2CA1CA2
SCHEMBL1387741 0.75 MAOB (0.52) MAOBALDH1A1CA1CA2ARG2
Allylbenzene SCHEMBL10882480 0.75 MAOB (0.46) MAOBALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL8032146 0.74 ALDH1A1 (0.48) ALDH1A1CA1CA2L3MBTL1TSHR
SCHEMBL27664358 0.74 PNMT (0.48) ALDH1A1IDO1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
EP-1334111-A4 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE DELLINGER DOUGLAS J (US) 2007-01-24 EP claimed
EP-1334111-A2 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE Dellinger, Douglas J. (US) 2003-08-13 EP claimed
WO-2002032912-A2 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE DELLINGER DOUGLAS J (US) 2002-04-25 WO claimed
US-4480096-A COLOR FORMERS FOR PRESSURE SENSITIVE OR HEAT SENSITIVE RECORDING CIBA-GEIGY CORPORATION (US) 1984-10-30 US claimed
US-4453973-A 3-(CARBAMOYLOXY)-ANILIDES SCHERING AKTIENGESELLSCHAFT (DE) 1984-06-12 US claimed
US-4435003-A COLOR FORMERS IN PRESSURE AND/OR HEAT SENSITIVE RECORDING MATERIALS CIBA-GEIGY CORPORATION (US) 1984-03-06 US claimed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US claimed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 US claimed
WO-2024071392-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIA, AND MAGNETIC RECORDING MEDIUM 株式会社レゾナック 2024-04-04 WO disclosed
WO-2024071399-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM 株式会社レゾナック 2024-04-04 WO disclosed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
CN-110769821-B Spiro indolines as IL-17 modulators UCB生物制药有限责任公司 2023-07-07 CN disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
US-4344790-A Carbaminic acid esters with herbicidal properties SCHERING AG (DE) 1982-08-17 US disclosed
US-4344790-A Carbaminic acid esters with herbicidal properties SCHERING AG (DE) 1982-08-17 US disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 US disclosed
US-3941791-A OPTICAL BRIGHTENER BASF AKTIENGESELLSCHAFT (DT) 1976-03-02 US disclosed