Sugi Predict

Sugi Predict / Compounds / SCHEMBL14623486

SCHEMBL14623486

SCHEMBL14623486

Cc1cc(C(O)c2ccc(C(F)(F)F)nc2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ P2RX7 Q99572 13/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ S1PR1 P21453 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL4434673 0.82 P2RX7 (0.42) P2RX7S1PR1
SCHEMBL14033926 0.79 P2RX7 (0.44) BRD4P2RX7MEN1KMT2ATRPV4
SCHEMBL14033441 0.74 SMN1; SMN2 (0.49) BRD4P2RX7TRPV4
SCHEMBL29713700 0.72 BRD4 (0.47) BRD4P2RX7TRPV4TRPV3
SCHEMBL485441 0.72 TRPV4 (0.48) BRD4P2RX7TRPV4TRPV3
SCHEMBL27823408 0.72 TRPV4 (0.48) BRD4P2RX7TRPV4TRPV3
SCHEMBL30003924 0.72 TRPV4 (0.48) BRD4P2RX7TRPV4TRPV3
SCHEMBL24400563 0.71 P2RX7 (0.41) BRD4P2RX7S1PR1TRPV4
SCHEMBL4433866 0.71 P2RX7 (0.42) P2RX7PTGS1PTGS2
SCHEMBL28999639 0.71 CNR2 (0.43) —

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-1423381-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2007-01-03 — — EP disclosed