SCHEMBL7787494

SCHEMBL7787494

COc1cc(C(N[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc(Nc2c(OC)c(=O)c2=O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALDH1A1 P00352 5/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35
HTT P42858 1/20 0.35
CASR P41180 2/20 0.35
HPGD P15428 1/20 0.34
MAPKAPK2 P49137 3/20 0.34
USP2 O75604 1/20 0.34
CXCR2 P25025 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7789230 0.92 KMT2A (0.36) KMT2AMAPTMEN1MAPK1SMN1; SMN2
SCHEMBL7785066 0.91 CRHBP (0.39) KMT2AMAPTMEN1MAPK1SMN1; SMN2
SCHEMBL7780384 0.83 CXCR2 (0.33) MAPKAPK2CXCR2
SCHEMBL7795386 0.81 CXCR2 (0.39) KMT2AMAPTMEN1SMN1; SMN2CRHBP
SCHEMBL7787586 0.81 ALDH1A1 (0.38) KMT2AMAPTMEN1MAPK1SMN1; SMN2
SCHEMBL7789132 0.80 CRHBP (0.39) KMT2AMAPTMEN1CRHBPCRHR2
SCHEMBL7787698 0.79 ALDH1A1 (0.31) ALDH1A1GAALMNA
SCHEMBL7785112 0.79 KMT2A (0.44) KMT2AMAPTMEN1MAPK1SMN1; SMN2
SCHEMBL7785272 0.78 KMT2A (0.41) KMT2AMAPTMEN1MAPK1SMN1; SMN2
SCHEMBL7795456 0.77 CXCR2 (0.35) ALDH1A1GAALMNACXCR2

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