SCHEMBL6972732

SCHEMBL6972732

Cc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.35
DAO P14920 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SRD5A2 P31213 1/20 0.33
LTA4H P09960 1/20 0.33
QPCT Q16769 1/20 0.33
PRMT1 Q99873 1/20 0.33
POLB P06746 1/20 0.33
AGXT P21549 1/20 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
SCHEMBL10736157 0.83 CYP1A2 (0.41) IDO1DAOCYP1A2CYP2A6TAAR1
SCHEMBL11051541 0.81 MPO (0.33)
SCHEMBL6971279 0.81 HRH3 (0.38) TAAR1
SCHEMBL3149298 0.81 L3MBTL1 (0.49) ALDH1A1HTTNPC1RAB9ACYP1A2
SCHEMBL11047959 0.81 HSP90AB1 (0.47) ALDH1A1IDO1DAOHTR2CHTR2B
SCHEMBL28260270 0.81 HTR2C (0.40) ALDH1A1IDO1DAOHTR2CHTR2B
SCHEMBL28216766 0.81 ESR1 (0.48) TAAR1
SCHEMBL11051421 0.80 ESR1 (0.36) HTT
SCHEMBL11049508 0.80 LTA4H (0.47) ALDH1A1IDO1LTA4HPOLB
SCHEMBL10740166 0.80 HRH1 (0.39) DAOCYP1A2CYP2A6TAAR1

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
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP claimed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0954521-B1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2003-05-14 EP disclosed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed