SCHEMBL6174432

SCHEMBL6174432

CCc1ccc(NC(=O)c2ccc(-c3cccc(OC)c3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 8/20 0.54
HPGD P15428 7/20 0.54
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
PLAU P00749 4/20 0.54
PLG P00747 3/20 0.54
PLAT P00750 3/20 0.54
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.53
HPGDS O60760 1/20 0.52
P4HTM Q9NXG6 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL5934458 0.92 ABCG2 (0.53) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5934557 0.90 TRPV1 (0.51) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16495372 0.88 TRPV1 (0.64) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16496431 0.87 TP53 (0.65) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5934783 0.87 CNR1 (0.58) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16495683 0.86 ROCK2 (0.61) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL5934638 0.85 TRPV1 (0.58) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5934208 0.85 TP53 (0.68) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5934400 0.85 HPGDS (0.56) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5934485 0.85 NPC1 (0.52) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 WO claimed