SCHEMBL6818353

SCHEMBL6818353

CC(=O)c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
HIF1A Q16665 3/20 0.36
HTT P42858 1/20 0.36
NTRK1 P04629 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ACP1 P24666 1/20 0.35
ALB P02768 1/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
CETP P11597 1/20 0.34

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
SCHEMBL6818271 0.91 DHODH (0.36) DHODHHIF1AHTTNTRK1SMN1; SMN2
SCHEMBL6818535 0.91 KMT2A (0.39) DHODHHIF1AHTTNTRK1SMN1; SMN2
SCHEMBL6822227 0.91 HTT (0.35) DHODHHTTNTRK1SMN1; SMN2KMT2A
SCHEMBL6818716 0.90 PDE10A (0.36) DHODHAKR1C3AKR1C2HIF1AHTT
SCHEMBL6814605 0.89 SMN1; SMN2 (0.35) DHODHHTTNTRK1SMN1; SMN2KMT2A
SCHEMBL6818143 0.89 SMN1; SMN2 (0.38) DHODHHIF1AHTTNTRK1SMN1; SMN2
SCHEMBL6813970 0.89 TP53 (0.35) DHODHHIF1AHTTNTRK1SMN1; SMN2
SCHEMBL6819646 0.89 HIF1A (0.42) DHODHAKR1C3AKR1C2HIF1AHTT
SCHEMBL6818998 0.88 HIF1A (0.39) HIF1AHTTALB
SCHEMBL6818789 0.88 HTT (0.36) DHODHHTTNTRK1SMN1; SMN2KMT2A

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