SCHEMBL8056945

SCHEMBL8056945

CCc1cc(CNC(=O)c2ccc(C(=O)NCc3cc(CC)cc(-n4nc5ccccc5n4)c3O)cc2)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
NLRP1 Q9C000 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HDAC1 Q13547 2/20 0.39
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
P2RY12 Q9H244 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MLLT1 Q03111 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8408950 0.95 TTR (0.41) TTRLMNAMAPK1NLRP1SMN1; SMN2
SCHEMBL8043959 0.93 HDAC6 (0.43) TTRLMNASMN1; SMN2HDAC6HDAC2
SCHEMBL9408839 0.90 NPC1 (0.41) TTRLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8408063 0.89 MAP3K7 (0.42) TTRLMNAHDAC6HDAC2HDAC8
SCHEMBL8043991 0.86 NPC1 (0.52) TTRLMNASMN1; SMN2HDAC1NPC1
SCHEMBL31192002 0.84 NPC1 (0.49) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL11315775 0.84 NPC1 (0.49) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL8061576 0.83 LMNA (0.47) TTRLMNASMN1; SMN2HDAC6HDAC8
SCHEMBL8055374 0.83 TTR (0.44) TTRLMNASMN1; SMN2HDAC1NPC1
SCHEMBL8061708 0.83 TTR (0.41) TTRLMNAMAPK1SMN1; SMN2HDAC1

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
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