SCHEMBL7480433

SCHEMBL7480433

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)COc2cc(C#N)ccc2OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 6/20 0.43
F10 P00742 2/20 0.43
PRSS1 P07477 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CEPT1 Q9Y6K0 4/20 0.42
CETP P11597 2/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 1/20 0.41
PTGER1 P34995 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5089227 0.79 RORC (0.45) LMNACYP19A1
SCHEMBL7057459 0.75 RORC (0.44) LMNAF10
SCHEMBL8031102 0.73 F10 (0.57) LMNAALDH1A1F10PRSS1RAB9A
SCHEMBL8019690 0.73 F10 (0.57) LMNAALDH1A1F10PRSS1RAB9A
SCHEMBL7086229 0.73 KMT2A (0.55) LMNAALDH1A1MAPTRAB9AMEN1
SCHEMBL6165511 0.72 F10 (0.46) ALDH1A1F10PRSS1MAPT
SCHEMBL7475555 0.72 F10 (0.82) F10PRSS1
SCHEMBL7361732 0.71 F10 (0.46) LMNAALDH1A1F10PRSS1MAPT
SCHEMBL7361733 0.71 MEN1 (0.44) ALDH1A1F10PRSS1CETPMEN1
SCHEMBL7477463 0.71 MRGPRX4 (0.52) ALDH1A1PTGDR2MAPTKDM4ECYP19A1

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-1183235-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-06 EP disclosed
WO-2000071510-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed