SCHEMBL21748330

SCHEMBL21748330

COC(C)(C)C(=O)n1nc(-c2ccccc2)c(F)c1NCc1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 16/20 0.52
▸ KLKB1 P03952 9/20 0.51
▸ KLK1 P06870 3/20 0.51
▸ F10 P00742 1/20 0.46
▸ F11 P03951 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ CTRL P40313 1/20 0.40
▸ CTRB2 Q6GPI1 1/20 0.40
▸ CTRC Q99895 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
SCHEMBL16068814 0.91 F2 (0.62) F2KLKB1KLK1F11CTRB1
SCHEMBL21748324 0.90 F2 (0.54) F2KLKB1KLK1F10F11
SCHEMBL21748347 0.89 F2 (0.57) F2KLKB1KLK1F10
SCHEMBL20506155 0.88 F2 (0.64) F2KLKB1KLK1F10F11
SCHEMBL21748367 0.86 KLKB1 (0.50) F2KLKB1KLK1F10
SCHEMBL21748356 0.82 F2 (0.69) F2KLKB1KLK1F10F11
SCHEMBL21748368 0.79 KLKB1 (0.52) F2KLKB1KLK1F10
SCHEMBL21748344 0.78 F2 (0.60) F2KLKB1KLK1F10F11
SCHEMBL21748323 0.78 F2 (0.84) F2KLKB1KLK1
SCHEMBL20506142 0.78 KLKB1 (0.65) F2KLKB1KLK1F10

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