SCHEMBL6987993

SCHEMBL6987993

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2Cc3ccccc3C(NS(=O)(=O)c3ccc(Cl)s3)C2=O)c1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.45
HTR1A P08908 4/20 0.40
HTR7 P34969 4/20 0.40
PSEN1 P49768 7/20 0.38
PSEN2 P49810 7/20 0.38
APH1B Q8WW43 7/20 0.38
NCSTN Q92542 7/20 0.38
APH1A Q96BI3 7/20 0.38
PSENEN Q9NZ42 7/20 0.38
DRD2 P14416 3/20 0.37
HTR6 P50406 3/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL4680863 0.81 F10 (0.69) F10
SCHEMBL6986018 0.81 F10 (0.68) F10
SCHEMBL6987989 0.78 F10 (0.32) F10ALDH1A1HPGDMAPT
SCHEMBL6989016 0.78 PTGS2 (0.32) F10
SCHEMBL27613642 0.71 F10 (0.53) F10
SCHEMBL6631214 0.71 F10 (0.51) F10
SCHEMBL6626929 0.70 F10 (0.68) F10
SCHEMBL6626690 0.68 F10 (0.60) F10
SCHEMBL6630015 0.67 F10 (0.71) F10
SCHEMBL6991426 0.66 F10 (0.59) F10HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed