SCHEMBL6821790

SCHEMBL6821790

CCC(=O)Nc1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccc(NC(=O)OC)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
ALB P02768 2/20 0.34
AR P10275 4/20 0.33
CETP P11597 4/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
PAX8 Q06710 1/20 0.33
KDM4E B2RXH2 1/20 0.32
UBE2N P61088 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL6914625 0.95 RORC (0.34) RORCALBARCETPMAPT
SCHEMBL6818463 0.94 TP53 (0.35) RORCALBARCETPMAPT
SCHEMBL6813999 0.92 TP53 (0.35) RORCALBARCETPMAPT
SCHEMBL6822667 0.91 RORC (0.37) RORCALBARCETPS1PR1
SCHEMBL6818600 0.91 TP53 (0.34) RORCALBARCETPMAPT
SCHEMBL6821982 0.90 TP53 (0.34) RORCALBARCETPMAPT
SCHEMBL6818362 0.89 AR (0.37) RORCALBARCETPMAPT
SCHEMBL6818246 0.89 TP53 (0.34) RORCALBARCETPMAPT
SCHEMBL6818188 0.88 PDE10A (0.36) RORCALBARCETPMAPT
SCHEMBL6819458 0.88 CETP (0.35) ALBCETPTP53KMT2ATDP1

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed