SCHEMBL9702249

SCHEMBL9702249

CCCc1nnc(-c2ccc(CCc3ccc(OCC)cc3)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 7/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
QPCTL Q9NXS2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.41
QPCT Q16769 2/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL9702474 0.96 RAB9A (0.63) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9704963 0.91 RAB9A (0.55) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9704965 0.90 RAB9A (0.60) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9702337 0.89 RAB9A (0.53) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9705079 0.88 RAB9A (0.61) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9702829 0.86 RAB9A (0.51) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9704064 0.83 RAB9A (0.49) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9702798 0.82 RAB9A (0.61) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9702907 0.82 ALDH1A1 (0.57) RAB9AKDM4EHSD17B10NPC1SMN1; SMN2
SCHEMBL9702773 0.81 RAB9A (0.66) RAB9AKDM4EHSD17B10SMN1; SMN2TP53

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-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed