SCHEMBL21748319

SCHEMBL21748319

COc1ccccc1C(=O)n1nc(-c2ccccn2)c(F)c1NCc1ccc(Cl)s1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.70
▸ KLKB1 P03952 11/20 0.70
▸ KLK1 P06870 6/20 0.70
▸ PLG P00747 1/20 0.70
▸ F11 P03951 1/20 0.70
▸ CTRB1 P17538 1/20 0.70
▸ CTRL P40313 1/20 0.70
▸ CTRB2 Q6GPI1 1/20 0.70
▸ CTRC Q99895 1/20 0.70
▸ F10 P00742 4/20 0.69

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
SCHEMBL21748356 0.88 F2 (0.69) F2KLKB1KLK1PLGF11
SCHEMBL21748374 0.85 KLKB1 (0.65) F2KLKB1KLK1PLGF11
SCHEMBL20506402 0.82 F2 (1.00) F2KLKB1KLK1PLGF11
SCHEMBL29905916 0.82 F2 (1.00) F2KLKB1KLK1PLGF11
SCHEMBL20506287 0.81 KLKB1 (1.00) F2KLKB1KLK1PLGF11
SCHEMBL21748328 0.81 F2 (0.60) F2KLKB1KLK1PLGF11
SCHEMBL21748344 0.79 F2 (0.60) F2KLKB1KLK1PLGF11
SCHEMBL21748338 0.79 F2 (1.00) F2KLKB1KLK1PLGF11
SCHEMBL20506337 0.79 F2 (0.78) F2KLKB1KLK1PLGF11
SCHEMBL21748364 0.79 F2 (0.59) F2KLKB1KLK1PLGF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970141-B1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON CORP (US) 2020-02-26 — — EP claimed
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