SCHEMBL439774

SCHEMBL439774

Brc1cnc2ccccc2c1.Nc1c(Cl)cnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
BIRC5 O15392 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
NQO2 P16083 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 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
SCHEMBL437696 0.83 KDM4E (0.50) KDM4EGPR3ALDH1A1GLAHPGD
SCHEMBL271715 0.79 BIRC5 (0.59) ALPLBIRC5KDM4EGPR3ALDH1A1
Bromide SCHEMBL7788733 0.78 BIRC5 (0.58) ALPLBIRC5KDM4EGPR3ALDH1A1
SCHEMBL4709550 0.74 BIRC5 (0.51) ALPLBIRC5KDM4EGPR3ALDH1A1
SCHEMBL442137 0.73 HTT (0.49) KDM4EALDH1A1GLASMN1; SMN2ACHE
SCHEMBL438932 0.73 ACHE (0.46) ACHEHTTBCHE
Quinoline SCHEMBL28218277 0.72 ALDH1A1 (0.63) ALPLBIRC5KDM4EALDH1A1CASP1
SCHEMBL18318196 0.70 SMN1; SMN2 (0.44) ALPLBIRC5KDM4EGPR3SMN1; SMN2
Acetic Acid SCHEMBL28150882 0.69 MGAM (0.57) ALPLBIRC5KDM4ESMN1; SMN2CYP1A2
SCHEMBL16506046 0.69 KDM4E (0.47) KDM4EGPR3ALDH1A1GLAHPGD

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed