SCHEMBL7040174

SCHEMBL7040174

COc1ccc2oc(-c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 14/20 0.57
NPC1 O15118 13/20 0.57
RAB9A P51151 13/20 0.57
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 9/20 0.57
PKM P14618 2/20 0.57
TP53 P04637 7/20 0.55
MAPT P10636 6/20 0.55
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
PTK2B Q14289 1/20 0.53
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
TSHR P16473 1/20 0.51
GABRP O00591 1/20 0.51

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
SCHEMBL8108604 0.81 NPC1 (0.69) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3128277 0.80 NPC1 (0.60) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3125413 0.78 NPC1 (0.75) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL28559369 0.76 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL18010003 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL12435043 0.73 NPC1 (0.57) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8788256 0.73 MAPT (0.70) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL8787875 0.73 MAOB (0.55) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2242715 0.73 NPC1 (1.00) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5226589 0.73 NPC1 (0.68) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028120-B1 Organosilicon compounds with N-substituted benzimidazole-benzazole or benzofuranyl-benzazole groups, sunscreen compositions containing these compounds and their use OREAL (FR) 2003-03-19 EP disclosed
US-6221343-B1 Benzimidazole/benzofuryl-benzazole silicon compounds and UV-photoprotective compositions comprised thereof SOCIETE L'OREAL S.A. (FR) 2001-04-24 US disclosed
EP-1028120-A1 Organosilicon compounds with N-substituted benzimidazole-benzazole or benzofuranyl-benzazole groups, sunscreen compositions containing these compounds and their use L'OREAL (FR) 2000-08-16 EP disclosed