SCHEMBL3686302

SCHEMBL3686302

O=C(Br)Cc1cnc2ccccn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.54
FDPS P14324 1/20 0.54
GPR84 Q9NQS5 1/20 0.47
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
HDAC1 Q13547 1/20 0.43
ERCC5 P28715 1/20 0.43
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
EPHB3 P54753 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MIF P14174 1/20 0.40
TSHR P16473 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
SCHEMBL909196 0.85 GGPS1 (0.55) GGPS1FDPSGPR84NPC1RAB9A
SCHEMBL17519485 0.84 GGPS1 (0.54) GGPS1FDPSGPR84NPC1RAB9A
SCHEMBL633944 0.84 GGPS1 (0.57) GGPS1FDPSGPR84NPC1RAB9A
Hydrochloric Acid SCHEMBL9121777 0.84 GGPS1 (0.54) GGPS1FDPSGPR84NPC1RAB9A
Hydrochloric Acid SCHEMBL8661446 0.84 GGPS1 (0.54) GGPS1FDPSGPR84NPC1RAB9A
SCHEMBL28284831 0.83 GGPS1 (0.52) GGPS1FDPSGPR84NPC1RAB9A
SCHEMBL1761303 0.80 GGPS1 (0.53) GGPS1FDPSGPR84NPC1RAB9A
SCHEMBL20434857 0.80 GGPS1 (0.50) GGPS1FDPSGPR84NPC1RAB9A
Beta-Alanine SCHEMBL4783165 0.78 GGPS1 (0.48) GGPS1FDPSGPR84NPC1RAB9A
SCHEMBL21076445 0.78 GGPS1 (0.48) GGPS1FDPSGPR84NPC1RAB9A

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
EP-2170882-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-04-07 EP disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed