SCHEMBL11716643

SCHEMBL11716643

[O]CC(=O)Nc1ccc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.66
RAB9A P51151 8/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KMT2A Q03164 2/20 0.59
NOTUM Q6P988 1/20 0.58
WNT3A P56704 1/20 0.58
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
MAPK1 P28482 1/20 0.52
NCF1 P14598 1/20 0.52
MAPT P10636 1/20 0.50
PDE10A Q9Y233 1/20 0.49
MTOR P42345 1/20 0.48

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
SCHEMBL11716649 0.86 NPC1 (0.66) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL2638111 0.86 NPC1 (0.66) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6030882 0.85 NPC1 (0.64) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL10605304 0.85 NPC1 (0.64) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4413382 0.85 NPC1 (0.64) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL2638108 0.85 NPC1 (0.64) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL14580724 0.83 NPC1 (0.71) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL9870685 0.83 NPC1 (0.62) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4856355 0.82 NPC1 (0.69) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL22230586 0.81 NPC1 (0.68) NPC1RAB9ANFKB1NFKB2RELA

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-4052212-A ETHER-ESTER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-10-04 US disclosed