SCHEMBL3249158

SCHEMBL3249158

COCC(Cc1ccccc1)(NC(N)=O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
PTPRB P23467 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
MMP8 P22894 4/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL1162490 0.90 ALDH1A1 (0.48) RECQLCYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL3482670 0.85 MEN1 (0.50) SMN1; SMN2ALDH1A1TSHRPTPRBPTPN2
SCHEMBL15671357 0.84 MMP8 (0.40) RECQLCYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL7742277 0.77 RECQL (0.42) RECQLCYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL13270387 0.76 ALDH1A1 (0.35) RECQLCYP3A4SMN1; SMN2ALDH1A1MMP8
SCHEMBL1695173 0.75 SMN1; SMN2 (0.49) RECQLCYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL11748890 0.74 CYP3A4 (0.47) RECQLCYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL8578234 0.74 SMN1; SMN2 (0.43) RECQLCYP3A4CYP1A2SMN1; SMN2HIF1A
SCHEMBL2711802 0.73 AKT1 (0.46) RECQLCYP3A4ALDH1A1CYP2C9CYP2C19
SCHEMBL1697372 0.73 ALDH1A1 (0.48) RECQLCYP3A4CYP1A2SMN1; SMN2HIF1A

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