SCHEMBL6819458

SCHEMBL6819458

CCC(=O)Nc1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.35
HTT P42858 2/20 0.34
DHODH Q02127 2/20 0.34
NTRK1 P04629 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ALB P02768 2/20 0.34
ACP1 P24666 1/20 0.34
TP53 P04637 2/20 0.33
CDK2 P24941 2/20 0.33
MEN1 O00255 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6817656 0.89 MAPK14 (0.36) CETPDHODHSMN1; SMN2ALBCDK2
SCHEMBL6818535 0.89 KMT2A (0.39) CETPHTTDHODHNTRK1SMN1; SMN2
SCHEMBL6821790 0.88 RORC (0.35) CETPKMT2AALBTP53TDP1
SCHEMBL6818898 0.88 TP53 (0.36) CETPHTTDHODHNTRK1SMN1; SMN2
SCHEMBL6818789 0.88 HTT (0.36) CETPHTTDHODHNTRK1SMN1; SMN2
SCHEMBL6818143 0.87 SMN1; SMN2 (0.38) CETPHTTDHODHNTRK1SMN1; SMN2
SCHEMBL6822227 0.87 HTT (0.35) CETPHTTDHODHNTRK1SMN1; SMN2
SCHEMBL6822667 0.87 RORC (0.37) CETPALB
SCHEMBL6817683 0.87 HIF1A (0.44) HTTSMN1; SMN2KMT2ANPC1TSHR
SCHEMBL6818353 0.87 DHODH (0.37) CETPHTTDHODHNTRK1SMN1; SMN2

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