SCHEMBL9704028

SCHEMBL9704028

CCCCCCCc1nnc(-c2ccc(CCc3ccc(CC)cc3)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.47
AKT1 P31749 1/20 0.44
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
QPCTL Q9NXS2 1/20 0.40
TNNC1 P63316 5/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 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
SCHEMBL9702717 0.98 RAB9A (0.60) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL9702885 0.94 KDM4E (0.66) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL9704102 0.93 RAB9A (0.60) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL9702884 0.92 KDM4E (0.68) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL15164266 0.92 KDM4E (0.68) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL9702454 0.92 RAB9A (0.54) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL9704088 0.91 RAB9A (0.61) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL10058957 0.91 RAB9A (0.59) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL10058952 0.91 RAB9A (0.59) RAB9AKDM4EALDH1A1AKT1HSD17B10
SCHEMBL10058950 0.91 RAB9A (0.59) RAB9AKDM4EALDH1A1AKT1HSD17B10

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