SCHEMBL8030371

SCHEMBL8030371

COC(=O)c1cccc(NC(=O)NCC(=O)N(CCC2CCCCC2)c2ccccc2OCC(=O)N(C)c2c(F)cccc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.48
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
BDKRB2 P30411 2/20 0.36
CCR3 P51677 3/20 0.36
CXCR3 P49682 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPIA P62937 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ROCK2 O75116 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8034107 0.99 CASR (0.46) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030570 0.94 CASR (0.41) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8033760 0.94 CASR (0.41) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030369 0.93 BDKRB2 (0.40) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8033962 0.93 CASR (0.40) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030224 0.91 CASR (0.45) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8030264 0.91 CASR (0.49) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8020713 0.90 CASR (0.44) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8029962 0.90 CASR (0.48) CASREPHX2ALDH1A1MEN1KMT2A
SCHEMBL8033867 0.89 CASR (0.35) CASREPHX2ALDH1A1MEN1KMT2A

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed