SCHEMBL27729232

SCHEMBL27729232

COC(=O)Cc1ccc(-n2ccccc2=O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.55
KLKB1 P03952 1/20 0.55
F2 P00734 1/20 0.43
TSHR P16473 1/20 0.42
RORC P51449 1/20 0.41
KDM1A O60341 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
SCHEMBL31147950 0.86 F10 (0.42) F10KLKB1TSHRRORCKDM1A
SCHEMBL1999384 0.84 F10 (0.51) F10KLKB1F2
SCHEMBL4690430 0.77 F10 (0.47) F10KLKB1
SCHEMBL29836179 0.73 SMN1; SMN2 (0.48)
SCHEMBL3967997 0.73 SMN1; SMN2 (0.48)
SCHEMBL12956033 0.72 F10 (0.47) F10KLKB1
SCHEMBL661699 0.72 TAAR1 (0.51)
SCHEMBL30874634 0.72 TAAR1 (0.51)
SCHEMBL27729135 0.72 F10 (0.45) F10KLKB1
SCHEMBL1922818 0.71 ALDH1A1 (0.51)

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
CN-102617567-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO 2012-08-01 CN disclosed
CN-101357914-A Lactam-containing compounds and derivatives thereof as factor xa inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-02-04 CN disclosed