SCHEMBL9617115

SCHEMBL9617115

COc1ccc(NC(=O)NC2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
EPHX1 P07099 1/20 0.55
CYP3A4 P08684 2/20 0.46
PAK1 Q13153 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
MMP8 P22894 2/20 0.43
MMP3 P08254 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7333785 0.82 MMP8 (0.47) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL9617114 0.81 POLB (0.52) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7333796 0.76 ADRA1A (0.47) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7011484 0.74 NPC1 (0.50) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL15624827 0.73 NPC1 (0.76) EPHX2NPC1RAB9AEPHX1CYP3A4
SCHEMBL2751488 0.73 NPC1 (0.97) EPHX2NPC1RAB9AEPHX1MEN1
SCHEMBL14984059 0.72 NPC1 (0.74) EPHX2NPC1RAB9AEPHX1CYP3A4
SCHEMBL12196154 0.72 NPC1 (1.00) EPHX2NPC1RAB9AEPHX1MEN1
SCHEMBL6849595 0.71 MAPT (0.46) EPHX2NPC1RAB9ACYP3A4MEN1
SCHEMBL6851396 0.71 MCHR1 (0.46) EPHX2NPC1RAB9AEPHX1

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
JP-4013666-A None JP disclosed
JP-H0413666-A 1-(ALKOXYPHENYL)-3-(4,5,6,7-TETRAHYDROBENZIMIDAZOLYL)UREA YAMANOUCHI PHARMACEUT CO LTD 1992-01-17 JP disclosed