SCHEMBL6505980

SCHEMBL6505980

Brc1cnc(-c2ccccn2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 5/20 0.54
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 4/20 0.49
HSD17B10 Q99714 2/20 0.49
KDR P35968 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL16990916 0.82 CCR1 (0.47) KDM4ENPC1RAB9AMAPTATM
SCHEMBL30606304 0.77 ALDH1A1 (0.58) KDM4ENPC1RAB9AMAPTATM
SCHEMBL12116515 0.77 ALDH1A1 (0.58) KDM4ENPC1RAB9AMAPTATM
SCHEMBL2159909 0.77 KDM4E (0.57) KDM4ENPC1RAB9AMAPTATM
SCHEMBL29870798 0.74 KDM4E (0.77) KDM4ENPC1RAB9AMAPTATM
SCHEMBL15671504 0.74 KDM4E (0.77) KDM4ENPC1RAB9AMAPTATM
SCHEMBL7864083 0.74 HTT (0.44) KDM4EALDH1A1HSD17B10CYP1A2SNCA
SCHEMBL928439 0.74 SNCA (0.55) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL256074 0.73 SNCA (0.52) SMN1; SMN2KDRSNCA
SCHEMBL18667513 0.73 KDM4E (0.52) KDM4ENPC1RAB9AMAPTATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005075469-A1 THIAZOLYL-HYDROXAMIC ACIDS AND THIADIAZOLYL-HYDROXAMIC ACIDS, AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH HISTONE DEACETYLASE ENZYMATIC ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-08-18 WO disclosed
WO-2005075469-A1 THIAZOLYL-HYDROXAMIC ACIDS AND THIADIAZOLYL-HYDROXAMIC ACIDS, AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH HISTONE DEACETYLASE ENZYMATIC ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-08-18 WO disclosed