SCHEMBL8033922

SCHEMBL8033922

Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3ccc(C(F)(F)F)cc3)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.47
MAPK1 P28482 2/20 0.42
PSMB5 P28074 1/20 0.41
HPGD P15428 1/20 0.40
POLQ O75417 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDH1 O75874 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8033918 0.95 MLYCD (0.42) MLYCDMAPK1HPGDPOLQLMNA
SCHEMBL8030236 0.93 MAPK1 (0.48) MLYCDMAPK1HTTMEN1KMT2A
SCHEMBL8033743 0.92 MAPK1 (0.46) MLYCDMAPK1HTTMEN1KMT2A
SCHEMBL8034026 0.91 MAPK1 (0.47) MLYCDMAPK1HTTMEN1KMT2A
SCHEMBL8036208 0.90 MEN1 (0.48) MLYCDMAPK1MAPTHTTALDH1A1
SCHEMBL8036317 0.90 MAPK1 (0.45) MLYCDMAPK1HTTMEN1KMT2A
SCHEMBL8030428 0.89 MAPK1 (0.43) MLYCDMAPK1HTTALDH1A1MEN1
SCHEMBL8030733 0.87 MEN1 (0.44) MAPK1LMNAMAPTTHRBRXFP1
SCHEMBL8030567 0.87 MAPK1 (0.43) MAPK1LMNAMAPTHTTCYP2D6
SCHEMBL8033768 0.87 MAPK1 (0.45) MAPK1POLQTHRBHTTMEN1

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