SCHEMBL8409160

SCHEMBL8409160

CC(C)c1cc(CNC(=O)c2ccc(C(N)=O)cc2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
HDAC1 Q13547 7/20 0.39
PTGER4 P35408 1/20 0.38
MAPK8 P45983 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 2/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PHGDH O43175 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 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
SCHEMBL8055374 0.95 TTR (0.44) TTRHDAC1PTGER4SMN1; SMN2TP53
SCHEMBL8409285 0.92 MAP3K7 (0.39) TTRPTGER4SMN1; SMN2TP53MEN1
SCHEMBL8407973 0.91 TTR (0.38) TTRHDAC1MAPK8SMN1; SMN2RAB9A
SCHEMBL8043958 0.89 TTR (0.42) TTRPTGER4SMN1; SMN2TP53RAB9A
SCHEMBL8408952 0.87 NPC1 (0.47) TTRHDAC1MAPK8SMN1; SMN2TP53
SCHEMBL8061708 0.86 TTR (0.41) TTRHDAC1SMN1; SMN2TP53RAB9A
SCHEMBL9408813 0.85 NPC1 (0.40) TTRPTGER4SMN1; SMN2RAB9AMEN1
SCHEMBL8408950 0.85 TTR (0.41) TTRHDAC1MAPK8SMN1; SMN2RAB9A
SCHEMBL8409167 0.84 EPHX2 (0.49) TTRMAPK8SMN1; SMN2RAB9AEPHX2
SCHEMBL8406942 0.84 MAP3K7 (0.39) TTREPHX2MEN1KMT2ALMNA

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
US-5935900-A BENZOTRIAZOLE COMPOUND, DIPHENYLSULFONE ELECTRON ACCEPTOR OJL PAPER CO., LTD. (JP) 1999-08-10 US disclosed