SCHEMBL8407973

SCHEMBL8407973

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.38
MAPK8 P45983 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 6/20 0.35
EPHX2 P34913 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.34
PHGDH O43175 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
SCHEMBL8061708 0.95 TTR (0.41) TTRSMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL8406942 0.93 MAP3K7 (0.39) TTREPHX2LMNAMEN1KMT2A
SCHEMBL8409160 0.91 TTR (0.40) TTRMAPK8SMN1; SMN2NPC1RAB9A
SCHEMBL8043973 0.89 HTT (0.40) TTRNPC1RAB9AEPHX2POLB
SCHEMBL8408952 0.86 NPC1 (0.47) TTRMAPK8SMN1; SMN2NPC1RAB9A
SCHEMBL8055374 0.86 TTR (0.44) TTRSMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL8408950 0.84 TTR (0.41) TTRMAPK8SMN1; SMN2NPC1RAB9A
SCHEMBL8409285 0.84 MAP3K7 (0.39) TTRSMN1; SMN2POLBLMNAMEN1
SCHEMBL8409167 0.82 EPHX2 (0.49) TTRMAPK8SMN1; SMN2RAB9AEPHX2
SCHEMBL8407971 0.81 NPC1 (0.35) SMN1; SMN2NPC1RAB9APOLBLMNA

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