SCHEMBL8410663

SCHEMBL8410663

Nc1c2ccccc2nc2cc(OCCl)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 5/20 0.55
CASP1 P29466 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ACHE P22303 3/20 0.55
GLA P06280 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CHRM2 P08172 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
NQO2 P16083 1/20 0.55
MAOA P21397 1/20 0.55
DRD1 P21728 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL4957181 0.86 KMT2A (0.46) KDM4EALDH1A1GLASMN1; SMN2NQO2
SCHEMBL15673323 0.80 APP (0.64) CASP7CASP1KDM4EALDH1A1HPGD
SCHEMBL20475261 0.79 MEN1 (0.58) KDM4EALDH1A1HPGDACHEGLA
SCHEMBL28572152 0.76 KMT2A (0.74) CASP7CASP1KDM4EALDH1A1HPGD
Aminacrine SCHEMBL29354393 0.74 HSD17B10 (1.00) CASP7CASP1KDM4EALDH1A1HPGD
Aminacrine SCHEMBL14999 0.74 HSD17B10 (1.00) CASP7CASP1KDM4EALDH1A1HPGD
SCHEMBL7795994 0.74 ACHE (0.67) CASP7CASP1KDM4EALDH1A1HPGD
SCHEMBL4163642 0.73 KDM4E (0.72) CASP7CASP1KDM4EALDH1A1HPGD
SCHEMBL29566948 0.73 MAOA (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Aminacrine SCHEMBL18989123 0.72 HSD17B10 (0.95) CASP7CASP1KDM4EALDH1A1HPGD

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-5932444-A POLYNUCLEOTIDES INCYTE PHARMACEUTICALS, INC. (US) 1999-08-03 US disclosed