SCHEMBL9566962

SCHEMBL9566962

COc1ccccc1C(=O)c1cccc(Cl)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.62
LMNA P02545 4/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RORC P51449 3/20 0.50
RORB Q92753 3/20 0.50
CTSD P07339 1/20 0.49
STS P08842 1/20 0.46
KMT2A Q03164 1/20 0.45
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CES2 O00748 1/20 0.44

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
SCHEMBL4119850 0.88 KMT2A (0.50) MAPK14LMNAALOX15HSD17B10MAPK13
SCHEMBL17770569 0.85 LMNA (0.60) MAPK14LMNAALOX15HSD17B10MAPK13
SCHEMBL29658169 0.81 CTSD (0.62) LMNAALOX15HSD17B10RAB9ASMN1; SMN2
SCHEMBL322168 0.81 CTSD (0.62) LMNAALOX15HSD17B10RAB9ASMN1; SMN2
SCHEMBL27789892 0.79 CTSD (0.60) LMNAALOX15HSD17B10RAB9ASMN1; SMN2
SCHEMBL1643544 0.79 MAPK14 (0.59) MAPK14LMNAALOX15HSD17B10MAPK13
SCHEMBL6652813 0.79 MAPK14 (0.64) MAPK14LMNAALOX15HSD17B10MAPK13
SCHEMBL15608370 0.79 MAPK14 (0.50) MAPK14LMNAMAPK13MAPK12MAPK11
SCHEMBL10370235 0.78 ALDH1A1 (0.56) MAPK14LMNAALOX15HSD17B10MAPK13
SCHEMBL1642408 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11HPGD

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
EP-0567026-A1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed