SCHEMBL7548264

SCHEMBL7548264

Nc1nccc(C(=O)c2ccc(Cl)cc2F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.43
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
GRIK1 P39086 3/20 0.38
SRD5A2 P31213 1/20 0.38
MAPK14 Q16539 3/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37

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
SCHEMBL8805528 0.90 MAPK14 (0.40) KMOTSHRCASP1SMN1; SMN2CYP11B2
SCHEMBL7554905 0.84 L3MBTL1 (0.41) TSHRCASP1SMN1; SMN2CYP11B2KDM4E
SCHEMBL7547613 0.83 PYGL (0.42) KDM4EASPHKDM8MAPK14MAPK13
SCHEMBL7553937 0.81 ALDH1A1 (0.43) TSHRCASP1SMN1; SMN2GRIK1MAPK14
SCHEMBL8802087 0.81 NAPRT (0.46) KDM4EASPHKDM8CDK2MAPK8
SCHEMBL7553546 0.79 KEAP1 (0.42) KMOKDM4EASPHKDM8MAPK14
SCHEMBL7548942 0.76 KEAP1 (0.39) KMOKDM4EASPHKDM8MAPK14
SCHEMBL27442149 0.76 SMN1; SMN2 (0.48) TSHRCASP1SMN1; SMN2CYP11B2KDM4E
SCHEMBL7548594 0.75 RECQL (0.48) SMN1; SMN2MAPK14MAPK13MAPK12NAPRT
SCHEMBL3426148 0.75 NAPRT (0.46) KMOKDM4EASPHKDM8NAPRT

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-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1998-05-22 WO disclosed