SCHEMBL6433153

SCHEMBL6433153

CCOC(=O)c1c(OC(=O)C(F)(F)F)c2cc(N)ccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ELANE P08246 1/20 0.40
F10 P00742 1/20 0.39
PLA2G2A P14555 2/20 0.38
PIK3R1 P27986 3/20 0.38
PIK3CA P42336 3/20 0.38
GRM5 P41594 1/20 0.38
CCR2 P41597 1/20 0.37
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
CNR1 P21554 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6433232 0.85 KLKB1 (0.43) F10KLKB1KLK1CNR1
SCHEMBL6436628 0.83 KLKB1 (0.46) F10KLKB1KLK1CNR1
Trifluoroacetic Acid SCHEMBL6433147 0.77 CCR2 (0.54) POLBF10CCR2MAPTTDP1
SCHEMBL6437062 0.74 POLB (0.49) POLBRXFP1ELANEF10PIK3R1
SCHEMBL6436829 0.73 CCR2 (0.55) POLBF10CCR2CNR1L3MBTL1
SCHEMBL6436689 0.72 F10 (0.51) F10
SCHEMBL6437263 0.72 F10 (0.61) F10
SCHEMBL6432609 0.70 F10 (0.47) F10
SCHEMBL6432920 0.70 F10 (0.67) POLBRXFP1F10PIK3R1PIK3CA
SCHEMBL6436710 0.69 F10 (0.55) POLBRXFP1F10PIK3R1PIK3CA

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-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed