SCHEMBL4011760

SCHEMBL4011760

CS(=O)(=O)c1c(-c2ccc3c(cnn3-c3cc4ccccc4[nH]3)c2)cccc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.38
▸ PGR P06401 4/20 0.38
▸ SCN9A Q15858 2/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ AR P10275 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ SCD O00767 1/20 0.32

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
SCHEMBL4008403 0.84 KDM4E (0.42) NR3C1PGRSCN9A
SCHEMBL4008236 0.84 NR3C1 (0.38) NR3C1PGRARTRPA1
SCHEMBL4008930 0.80 SCN9A (0.36) NR3C1PGRSCN9AAR
SCHEMBL5635166 0.71 CYP11B1 (0.40) BRD4
SCHEMBL4011766 0.70 ITK (0.54) —
SCHEMBL4010508 0.66 — —
SCHEMBL4009389 0.66 CDC7 (0.44) TRPA1
SCHEMBL4008407 0.64 PDPK1 (0.68) —
SCHEMBL9818427 0.62 KDR (0.54) BRD4CREBBP
SCHEMBL9507935 0.60 GSTP1 (0.53) —

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
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US claimed
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