SCHEMBL6818019

SCHEMBL6818019

CCC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
ALB P02768 2/20 0.36
HIF1A Q16665 1/20 0.36
LRRK2 Q5S007 1/20 0.35
TRPM4 Q8TD43 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
DHODH Q02127 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL6818611 0.91 KDM4E (0.37) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6817659 0.90 DHODH (0.35) KDM4EALDH1A1KMT2AALBHIF1A
SCHEMBL6817836 0.90 ALB (0.38) KDM4EKMT2AMEN1HTTALB
SCHEMBL6821646 0.89 KDM4E (0.38) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6821640 0.87 MAPK14 (0.36) ALDH1A1ALBHIF1ALRRK2TRPM4
SCHEMBL6818871 0.86 DHODH (0.42) KDM4EALBLRRK2SMN1; SMN2DHODH
SCHEMBL6818178 0.85 HIF1A (0.43) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6819582 0.85 STING1 (0.39) KDM4EALBLRRK2SMN1; SMN2DHODH
SCHEMBL6817656 0.85 MAPK14 (0.36) ALDH1A1ALBHIF1ALRRK2TRPM4
SCHEMBL6817683 0.83 HIF1A (0.44) KDM4EALDH1A1KMT2AMEN1HTT

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