SCHEMBL7787623

SCHEMBL7787623

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
CSF1R P07333 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.35
MAPKAPK2 P49137 4/20 0.34
CXCR2 P25025 3/20 0.34
P2RY4 P51582 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
CHRM4 P08173 1/20 0.33
RET P07949 1/20 0.33
MAPK14 Q16539 1/20 0.33
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
AURKB Q96GD4 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 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
Hydrochloric Acid SCHEMBL7787514 0.99 CA1 (0.36) CA1CA2ACHECSF1RMEN1
SCHEMBL7787471 0.90 BCL9 (0.36) CA1CA2ACHECSF1RMEN1
SCHEMBL7787770 0.90 KMT2A (0.40) MEN1POLBKMT2AMAPKAPK2MAPK14
SCHEMBL7785696 0.90 KMT2A (0.40) MEN1POLBKMT2AMAPKAPK2MAPK14
SCHEMBL7785675 0.90 KMT2A (0.40) MEN1POLBKMT2AMAPKAPK2MAPK14
Hydrochloric Acid SCHEMBL7787718 0.89 KMT2A (0.40) MEN1POLBKMT2AMAPKAPK2MAPK14
SCHEMBL7780728 0.88 MAPKAPK2 (0.37) MEN1POLBKMT2AIDO1MAPKAPK2
SCHEMBL7789355 0.85 MAPKAPK2 (0.46) IDO1MAPKAPK2MAPK14AURKB
SCHEMBL7780560 0.81 ALDH1A1 (0.44) MEN1POLBKMT2AMAPKAPK2EGFR
SCHEMBL7787655 0.81 ALDH1A1 (0.44) MEN1POLBKMT2AMAPKAPK2EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed