SCHEMBL6987658

SCHEMBL6987658

Cc1cc2c(Cc3ccccc3F)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PKM P14618 1/20 0.41
GPR84 Q9NQS5 2/20 0.39
FFAR1 O14842 1/20 0.39
DAO P14920 3/20 0.38
DDO Q99489 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2 P00734 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
SCHEMBL4692767 0.79 DAO (0.53) CYP1A2GAARXFP1DAODDO
SCHEMBL30605955 0.79 DAO (0.53) CYP1A2GAARXFP1DAODDO
SCHEMBL14531557 0.76 DAO (0.60) CYP1A2GAARXFP1DAODDO
SCHEMBL5728764 0.75 GAA (0.46) CYP1A2GAARXFP1DAODDO
SCHEMBL14319825 0.72 CYP3A4 (0.49) CYP1A2GAARXFP1DAODDO
SCHEMBL3301625 0.71 TAAR1 (0.59) DAOTAAR1ALDH1A1LMNAAR
SCHEMBL990558 0.70 KDM4E (0.50) CYP1A2GAARXFP1DAODDO
SCHEMBL20084088 0.68 ACHE (0.54) DAOTAAR1ALDH1A1
SCHEMBL29713806 0.68 DAO (0.56) CYP1A2GAARXFP1DAODDO
SCHEMBL8230643 0.68 DAO (0.56) CYP1A2GAARXFP1DAODDO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed