SCHEMBL9702773

SCHEMBL9702773

CCCCCc1ccc(CCc2ccc(-c3nnc(CCC)s3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
KDM4E B2RXH2 3/20 0.66
HSD11B1 P28845 2/20 0.47
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKT1 P31749 1/20 0.43
RARB P10826 5/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42

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
SCHEMBL9702884 0.95 KDM4E (0.68) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL9704088 0.94 RAB9A (0.61) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL9702885 0.94 KDM4E (0.66) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL9704102 0.92 RAB9A (0.60) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL15164266 0.92 KDM4E (0.68) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL9702998 0.91 RAB9A (0.66) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL9702829 0.90 RAB9A (0.51) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL9702717 0.89 RAB9A (0.60) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL9702960 0.89 KDM4E (0.55) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10
SCHEMBL10058947 0.89 RAB9A (0.61) RAB9AKDM4EHSD11B1ALDH1A1HSD17B10

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