SCHEMBL11362017

SCHEMBL11362017

[c]1nccc(-c2nc3ccccc3[nH]2)c1-c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.45
RAB9A P51151 14/20 0.45
KDM4E B2RXH2 12/20 0.45
ALDH1A1 P00352 11/20 0.45
HPGD P15428 8/20 0.45
HSD17B10 Q99714 7/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 10/20 0.43
TP53 P04637 7/20 0.43
PKM P14618 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
ABCB11 O95342 1/20 0.43
ALOX15 P16050 3/20 0.42
TSHR P16473 3/20 0.42
METAP2 P50579 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
METAP1 P53582 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL824391 0.78 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL26827776 0.72 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL227743 0.67 NPC1 (0.78) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28865125 0.66 METAP1 (0.58) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL6642970 0.66 RAB9A (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL82498 0.66 NPC1 (0.58) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4791411 0.66 NPC1 (0.56) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL8327904 0.65 RAB9A (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL20677815 0.65 NPC1 (0.75) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17452040 0.65 NPC1 (0.51) NPC1RAB9AKDM4EALDH1A1HPGD

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
EP-0032670-A1 Light collector systems and the use of coumarin derivatives as energy converters in such systems BAYER AG (DE) 1981-07-29 EP claimed