SCHEMBL3249147

SCHEMBL3249147

COC(CNC(N)=O)(Cc1ccccc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP8 P22894 3/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 2/20 0.38
RIPK1 Q13546 1/20 0.38
CYP3A4 P08684 1/20 0.38
PPID Q08752 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL22406298 0.81 SMN1; SMN2 (0.44) TSHRCYP1A2MMP8MAPTSMN1; SMN2
SCHEMBL8578234 0.80 SMN1; SMN2 (0.43) TSHRCYP1A2CYP2C9CYP2C19MMP8
SCHEMBL3667015 0.79 SMN1; SMN2 (0.42) TSHRCYP1A2MMP8MAPTSMN1; SMN2
SCHEMBL27457092 0.76 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19MMP8SMN1; SMN2
SCHEMBL16447676 0.73 SMN1; SMN2 (0.50) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11748890 0.71 CYP3A4 (0.47) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
Diphenylmethane SCHEMBL8207255 0.70 MMP1 (0.49) MAPTSMN1; SMN2ALDH1A1HPGDRECQL
SCHEMBL28057311 0.70 HIF1A (0.46) CYP1A2CYP2D6CYP2C9CYP2C19MMP8
SCHEMBL81511 0.69 CYP2C19 (0.64) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23256417 0.69 MAPT (0.46) TSHRCYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed