SCHEMBL9702717

SCHEMBL9702717

CCCCCc1nnc(-c2ccc(CCc3ccc(CC)cc3)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.45
AKT1 P31749 1/20 0.42
HSD11B1 P28845 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
QPCTL Q9NXS2 2/20 0.41
QPCT Q16769 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
RARB P10826 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9704028 0.98 RAB9A (0.58) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL9702884 0.94 KDM4E (0.68) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL9702454 0.94 RAB9A (0.54) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL9702885 0.92 KDM4E (0.66) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL9704088 0.92 RAB9A (0.61) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL9704102 0.91 RAB9A (0.60) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL15164266 0.91 KDM4E (0.68) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL10058947 0.91 RAB9A (0.61) RAB9AKDM4EALDH1A1HSD11B1MAPT
SCHEMBL9702998 0.89 RAB9A (0.66) RAB9AKDM4EALDH1A1AKT1HSD11B1
SCHEMBL9702773 0.89 RAB9A (0.66) RAB9AKDM4EALDH1A1AKT1HSD11B1

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