SCHEMBL8408952

SCHEMBL8408952

Cc1cc(CNC(=O)c2ccc(C(N)=O)cc2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.46
TTR P02766 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CA2 P00918 1/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.37
HDAC1 Q13547 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
SCHEMBL8043991 0.94 NPC1 (0.52) NPC1RAB9APOLBTTRLMNA
SCHEMBL8406921 0.92 NPC1 (0.46) NPC1RAB9APOLBTTRLMNA
SCHEMBL8043981 0.88 NPC1 (0.50) NPC1RAB9APOLBTTRLMNA
SCHEMBL8408950 0.88 TTR (0.41) NPC1RAB9ATTRLMNASMN1; SMN2
SCHEMBL8409160 0.87 TTR (0.40) NPC1RAB9ATTRLMNASMN1; SMN2
SCHEMBL8409167 0.87 EPHX2 (0.49) RAB9ATTRLMNASMN1; SMN2MAPT
SCHEMBL8407973 0.86 TTR (0.38) NPC1RAB9APOLBTTRLMNA
SCHEMBL9408799 0.84 NPC1 (0.51) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL9408778 0.84 NPC1 (0.56) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL9408745 0.83 NPC1 (0.54) NPC1RAB9APOLBLMNASMN1; SMN2

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