SCHEMBL5823802

SCHEMBL5823802

COc1ccccc1C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N(c1ccccc1)c1ccc(C2=NCCN2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
CNR1 P21554 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
CACNA1G O43497 1/20 0.36
MCHR1 Q99705 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
HTR3A P46098 1/20 0.35
SCN9A Q15858 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3571909 0.88 ROCK2 (0.44) F10CNR1LMNAALDH1A1L3MBTL1
SCHEMBL3573310 0.82 UTS2R (0.41) F10LMNAALDH1A1UTS2RROCK2
SCHEMBL3566288 0.80 F10 (0.40) F10CNR1LMNAALDH1A1ROCK2
SCHEMBL5823801 0.79 F10 (0.38) F10ALDH1A1SMN1; SMN2
SCHEMBL3558912 0.79 F10 (0.45) F10CNR1L3MBTL1UTS2RMAPT
SCHEMBL3565027 0.78 EP300 (0.48) F10CNR1ALDH1A1UTS2RMAPT
SCHEMBL3564096 0.78 EP300 (0.48) F10CNR1ALDH1A1UTS2RMAPT
SCHEMBL3570136 0.78 EP300 (0.48) F10CNR1ALDH1A1UTS2RMAPT
SCHEMBL3568353 0.78 F10 (0.44) F10CNR1UTS2RMAPT
SCHEMBL3564018 0.77 F10 (0.43) F10CNR1UTS2RMAPT

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-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed