SCHEMBL8020616

SCHEMBL8020616

COC(=O)c1cccc(NC(=O)NCC(=O)N(CCC(C)C)c2ccccc2OCC(=O)N(C)c2cc(F)cc(F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.42
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PPIA P62937 1/20 0.36
EPHX2 P34913 1/20 0.36
BDKRB2 P30411 6/20 0.36
NPC1 O15118 2/20 0.34
SENP1 Q9P0U3 1/20 0.34

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
SCHEMBL8034072 0.93 BDKRB2 (0.40) CASRRAB9AMAPTSMN1; SMN2PPIA
SCHEMBL8033741 0.93 CASR (0.46) CASRRAB9AMEN1KMT2AMAPT
SCHEMBL8030233 0.91 CASR (0.41) CASRRAB9AMEN1KMT2AMAPT
SCHEMBL8020760 0.90 CASR (0.42) CASRRAB9AMEN1KMT2AMAPT
SCHEMBL8030193 0.88 SMN1; SMN2 (0.33) CASRRAB9AMEN1KMT2AMAPT
SCHEMBL8020713 0.88 CASR (0.44) CASRRAB9AMEN1KMT2AMAPT
SCHEMBL8030021 0.88 KMT2A (0.35) CASRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8020575 0.88 CASR (0.35) CASRMEN1KMT2A
SCHEMBL8030224 0.87 CASR (0.45) CASRRAB9AMEN1KMT2AMAPT
SCHEMBL8033877 0.87 MEN1 (0.33) MEN1KMT2ASMN1; SMN2BDKRB2

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