SCHEMBL8036090

SCHEMBL8036090

Cc1cc(C)cc(N(C)C(=O)COc2cccc(N(CC(=O)N(C)c3ccccc3)C(=O)CNC(=O)Nc3cccc(C#N)c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
BDKRB2 P30411 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MCHR1 Q99705 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MLYCD O95822 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL8036317 0.90 MAPK1 (0.45) SMN1; SMN2MAPK1KMT2ATP53HTT
SCHEMBL8034026 0.87 MAPK1 (0.47) SMN1; SMN2MAPK1KMT2ATP53HTT
SCHEMBL8030236 0.87 MAPK1 (0.48) SMN1; SMN2MAPK1KMT2ATP53HTT
SCHEMBL8031868 0.87 PPIB (0.38) GAASMN1; SMN2MAPK1KMT2ATP53
SCHEMBL8034113 0.86 SMN1; SMN2 (0.40) GAABDKRB2SMN1; SMN2MCHR1KMT2A
SCHEMBL8036207 0.85 GRM5 (0.38) GAASMN1; SMN2MAPK1KMT2ATP53
SCHEMBL8030648 0.85 KMT2A (0.36) SMN1; SMN2MAPK1KMT2ATP53HTT
SCHEMBL9156433 0.85 MAPT (0.46) GAASMN1; SMN2MCHR1MAPK1KMT2A
SCHEMBL27488424 0.85 KMT2A (0.37) SMN1; SMN2MAPK1KMT2ATP53HTT
SCHEMBL8033743 0.85 MAPK1 (0.46) SMN1; SMN2MAPK1KMT2ATP53HTT

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