SCHEMBL4008236

SCHEMBL4008236

O=S(=O)(O)c1cccc(-c2ccc3c(cnn3-c3cc4ccccc4[nH]3)c2)c1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.38
▸ PGR P06401 4/20 0.38
▸ TRPA1 O75762 2/20 0.34
▸ AR P10275 4/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34

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
SCHEMBL4011760 0.84 NR3C1 (0.38) NR3C1PGRTRPA1AR
SCHEMBL4008930 0.74 SCN9A (0.36) NR3C1PGRAR
SCHEMBL4008243 0.73 ITK (0.48) TRPA1
SCHEMBL4008403 0.69 KDM4E (0.42) NR3C1PGR
SCHEMBL4008240 0.68 TRPA1 (0.49) TRPA1
SCHEMBL5635166 0.67 CYP11B1 (0.40) —
SCHEMBL4010508 0.64 — —
SCHEMBL4009389 0.61 CDC7 (0.44) TRPA1
SCHEMBL9818427 0.59 KDR (0.54) —
SCHEMBL9507935 0.57 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
Send feedback