SCHEMBL17115152

SCHEMBL17115152

INCc1nc2ncccc2o1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 10/20 0.40
POLB P06746 1/20 0.40
DAGLA Q9Y4D2 7/20 0.40
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL13426012 0.77 NPC1 (0.46) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL3331863 0.77 NPC1 (0.47) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL10272992 0.77 FAAH (0.50) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL6920576 0.75 NPC1 (0.44) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL18901151 0.74 NPC1 (0.63) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL24921043 0.73 FAAH (0.43) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL11646668 0.73 SMN1; SMN2 (0.53) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL1272691 0.71 FAAH (0.45) NPC1RAB9AKDM4EHPGDHSD17B10
SCHEMBL6048162 0.71 FAAH (0.47) NPC1RAB9AKDM4EFAAHDAGLA
SCHEMBL1272689 0.71 FAAH (0.42) NPC1RAB9AKDM4EHPGDHSD17B10

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-2435019-B1 DODECA-2E,4E-DIENE AMIDES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2015-09-23 EP disclosed