SCHEMBL28279003

SCHEMBL28279003

COc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.53
▸ HPGDS O60760 1/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ CSF1R P07333 4/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ NUDT1 P36639 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28279023 0.91 KLKB1 (0.53) KLKB1KMT2AMCHR1HTR2CMAOB
SCHEMBL20531539 0.84 KLKB1 (0.46) KLKB1KMT2A
SCHEMBL28172178 0.82 KLKB1 (0.46) KLKB1MCHR1HTR2CMAOB
SCHEMBL31339410 0.80 KLKB1 (0.63) KLKB1KMT2A
SCHEMBL17785263 0.80 KLKB1 (0.63) KLKB1KMT2A
SCHEMBL17785314 0.79 KLKB1 (0.65) KLKB1
SCHEMBL21081704 0.77 KLKB1 (0.70) KLKB1
SCHEMBL19780571 0.75 KLKB1 (0.47) KLKB1KMT2A
SCHEMBL17785303 0.73 KLKB1 (0.58) KLKB1
SCHEMBL19780360 0.72 KLKB1 (0.44) KLKB1KMT2ASMN1; SMN2

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
CN-109311847-A PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS 卡尔维斯塔制药有限公司 2019-02-05 — — CN disclosed
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