SCHEMBL8964798

SCHEMBL8964798

Cc1ccc2[nH]c(-c3cc4sc5ccccc5c4cc3O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
PRSS1 P07477 2/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MCL1 Q07820 1/20 0.40
PLAT P00750 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8964796 0.91 NPC1 (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15177874 0.77 F2 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8964784 0.75 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL22955874 0.73 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8964898 0.72 RPS6KA3 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16142437 0.72 F2 (0.62) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL31429745 0.72 F2 (0.62) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29595013 0.72 F2 (0.62) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12470344 0.72 AMY1A (0.57) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14129024 0.71 NPC1 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed