SCHEMBL8964796

SCHEMBL8964796

Cc1ccc2nc(-c3cc4sc5ccccc5c4cc3O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
F2 P00734 3/20 0.48
F10 P00742 3/20 0.48
PLG P00747 3/20 0.48
PLAU P00749 3/20 0.48
PRSS1 P07477 3/20 0.48
PLAT P00750 2/20 0.46
METAP2 P50579 2/20 0.46
METAP1 P53582 2/20 0.46
CBFB Q13951 1/20 0.46
PKM P14618 2/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL8964798 0.91 ALDH1A1 (0.41) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL8964784 0.77 MAPT (0.46) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL8964898 0.74 RPS6KA3 (0.49) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL8964583 0.73 NPY5R (0.51) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL21976949 0.73 PDGFRB (0.56) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL29595013 0.72 F2 (0.62) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL16142437 0.72 F2 (0.62) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL31429745 0.72 F2 (0.62) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL14128976 0.71 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL13203493 0.71 NPC1 (0.64) NPC1RAB9AMAPTALDH1A1KDM4E

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