SCHEMBL8029962

SCHEMBL8029962

COC(=O)c1cccc(NC(=O)NCC(=O)N(CCC2CCCC2)c2ccccc2OCC(=O)N(C)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.48
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
PPIA P62937 1/20 0.39
BDKRB2 P30411 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SENP1 Q9P0U3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8030264 0.99 CASR (0.49) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8030202 0.94 BDKRB2 (0.42) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8036098 0.94 CASR (0.44) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8020853 0.94 CASR (0.45) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8030205 0.93 CASR (0.42) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8020768 0.93 CASR (0.45) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8020713 0.93 CASR (0.44) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8030643 0.93 CASR (0.46) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8030224 0.92 CASR (0.45) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL8034107 0.91 CASR (0.46) CASRMEN1KMT2AMAPTRAB9A

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