SCHEMBL16473029

SCHEMBL16473029

N#Cc1ccc2c(cc(C(F)F)n2CC(=N)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.38
▸ RHOC P08134 8/20 0.34
▸ RHOA P61586 8/20 0.34
▸ AR P10275 4/20 0.34
▸ PGR P06401 3/20 0.34
▸ DDR1 Q08345 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ PPARG P37231 2/20 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
SCHEMBL2431294 0.81 AR (0.37) ARPGRRORC
SCHEMBL2435565 0.78 STAT3 (0.41) ARPGRRORC
SCHEMBL16472960 0.78 GAA (0.36) —
SCHEMBL2433297 0.77 AR (0.38) ARPGRRORC
SCHEMBL2427584 0.76 AR (0.37) ARPGRRORC
SCHEMBL12292864 0.76 POLB (0.43) ARPGRRORC
SCHEMBL4552329 0.73 AR (0.40) ARPGRRORC
SCHEMBL2431035 0.73 AR (0.43) ARPGRRORC
SCHEMBL16473021 0.73 PGR (0.41) ARPGR
SCHEMBL16473033 0.71 AR (0.43) ARPGRRORC

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-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 — — EP disclosed
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