SCHEMBL9309638

SCHEMBL9309638

Cc1ccc2c(-c3ccccc3C#N)oc(Br)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.36
TSHR P16473 2/20 0.35
MAOB P27338 5/20 0.34
MAOA P21397 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
ESR2 Q92731 1/20 0.33
CTSA P10619 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL9308252 0.86 TSHR (0.37) TSHRMAOBGABRA1GABRG2GABRB3
SCHEMBL9308818 0.84 KDM4E (0.34) PTGESTSHRMAOBGABRA1GABRG2
SCHEMBL9312060 0.83 AR (0.39) TSHRGABRA1GABRG2GABRB3GABRA2
SCHEMBL9309635 0.82 CSNK2A2 (0.40) TSHRMAOBMAOAKDM4EALDH1A1
SCHEMBL27370072 0.82 PTGES (0.34) PTGESESR2CTSAKDM4EALDH1A1
SCHEMBL9310253 0.81 PTGES (0.35) PTGESTSHRESR2ALDH1A1CYP1A2
SCHEMBL9309961 0.81 AR (0.34) TSHRMAOBGABRA1GABRG2GABRB3
SCHEMBL9480651 0.80 PTGES (0.34) PTGESESR2CSNK2A1NPC1RAB9A
SCHEMBL27370069 0.80 PTGES (0.34) PTGESESR2CTSANPC1RAB9A
SCHEMBL9308247 0.76 KCNH2 (0.46) TSHRKDM4EALDH1A1HPGDCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
EP-0559724-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-09-15 EP disclosed
WO-1992009600-A1 BENZOFURAN AND BENZTHIOPHENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-06-11 WO disclosed
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed