SCHEMBL8043991

SCHEMBL8043991

Cc1cc(CNC(=O)c2ccc(C(=O)NCc3cc(C)cc(-n4nc5ccccc5n4)c3O)cc2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.50
TTR P02766 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 3/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8408952 0.94 NPC1 (0.47) NPC1RAB9APOLBTTRLMNA
SCHEMBL8043981 0.93 NPC1 (0.50) NPC1RAB9APOLBTTRLMNA
SCHEMBL9408778 0.89 NPC1 (0.56) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL8406921 0.88 NPC1 (0.46) NPC1RAB9APOLBTTRLMNA
SCHEMBL9408745 0.88 NPC1 (0.54) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL8056945 0.86 TTR (0.44) NPC1RAB9ATTRLMNASMN1; SMN2
SCHEMBL9408822 0.86 RAB9A (0.52) NPC1RAB9APOLBTTRLMNA
SCHEMBL9408879 0.86 NPC1 (0.52) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL8055374 0.85 TTR (0.44) NPC1RAB9APOLBTTRLMNA
SCHEMBL8061576 0.85 LMNA (0.47) RAB9ATTRLMNASMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826511-B1 Heat sensitive recording material OJI PAPER CO (JP) 2000-05-24 EP claimed
EP-0826511-A1 Heat sensitive recording material Oji Paper Co., Ltd. (JP) 1998-03-04 EP claimed
EP-0826511-B1 Heat sensitive recording material OJI PAPER CO (JP) 2000-05-24 EP disclosed
EP-0826511-A1 Heat sensitive recording material Oji Paper Co., Ltd. (JP) 1998-03-04 EP disclosed