SCHEMBL14231970

SCHEMBL14231970

N#Cc1ccc2c(cc(CO)n2CC(F)(F)F)c1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.46
▸ PGR P06401 7/20 0.46
▸ METAP2 P50579 3/20 0.36
▸ RORC P51449 2/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL2434097 0.87 AR (0.48) ARPGRMETAP2RORCRORA
SCHEMBL2431707 0.85 AR (0.46) ARPGRMETAP2RORCRORA
SCHEMBL14232275 0.75 KDM4E (0.40) ARPGRCYP1A2CYP3A4CYP2C19
SCHEMBL14232282 0.75 RORA (0.34) ARPGRRORCRORARORB
SCHEMBL2434075 0.74 AR (0.46) ARPGRMETAP2RORCRORA
SCHEMBL2433002 0.72 NTRK1 (0.42) ARPGR
SCHEMBL2431886 0.72 AR (0.49) ARPGRRORC
SCHEMBL2438861 0.70 AR (0.61) ARPGR
SCHEMBL14232285 0.70 CCR2 (0.35) RORCRORARORB
SCHEMBL12327791 0.69 AR (0.46) ARPGRMETAP2RORCRORA

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
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 — — WO disclosed
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