SCHEMBL5594243

SCHEMBL5594243

COC(=O)Nc1ccc(-c2csc(C[C@H](NC(=O)c3c(F)cc(OC)cc3F)c3ccccc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.40
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
KMT2A Q03164 8/20 0.38
MEN1 O00255 6/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
FPR2 P25090 1/20 0.37
NPC1 O15118 1/20 0.37
TACR3 P29371 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL13650880 0.84 FPR2 (0.43) F11KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4128919 0.84 FPR2 (0.43) F11KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL4142875 0.80 F11 (0.43) F11KMT2AMEN1ROCK2ROCK1
SCHEMBL8241498 0.78 FPR2 (0.44) KMT2AMEN1LMNAMAPTROCK2
SCHEMBL4706516 0.66 F11 (0.49) F11TACR3
SCHEMBL4142872 0.64 PTPRB (0.48) F11KMT2AMEN1LMNAMAPT
SCHEMBL2092941 0.63 SMN1; SMN2 (0.68) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL5033885 0.61 ABL1 (0.58) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL7251623 0.60 SMN1; SMN2 (0.72) LMNAMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL4707261 0.60 F11 (0.49) F11KMT2ASMN1; SMN2NPC1RAB9A

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
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed