SCHEMBL9387336

SCHEMBL9387336

COc1ccc(OCCCl)c2ccc(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.42
CYP19A1 P11511 2/20 0.41
ADRB2 P07550 6/20 0.37
DRD2 P14416 3/20 0.37
DRD1 P21728 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX12 P18054 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9389579 0.85 NQO2 (0.38) NQO2CYP19A1ADRB2DRD2DRD1
SCHEMBL9389343 0.83 HTR1D (0.42) NQO2CYP19A1ADRB2DRD2DRD1
SCHEMBL11401085 0.82 NQO2 (0.53) NQO2CYP19A1ADRB2KDM4EHPGD
SCHEMBL6584403 0.79 NQO2 (0.38) NQO2CYP19A1ADRB2DRD2DRD1
SCHEMBL9384834 0.78 ALDH1A1 (0.42) NQO2CYP19A1ADRB2KDM4EHPGD
SCHEMBL2796720 0.76 NQO2 (0.47) NQO2CYP19A1KDM4EHPGDGPR84
SCHEMBL14438072 0.74 NQO2 (0.61) NQO2CYP19A1KDM4EHPGDALDH1A1
SCHEMBL11121058 0.74 MAPT (0.43) NQO2CYP19A1ADRB2KDM4EHPGD
SCHEMBL9653621 0.73 NQO2 (0.47) NQO2CYP19A1ADRB2DRD2DRD1
SCHEMBL2171202 0.73 NQO2 (0.47) NQO2CYP19A1KDM4EHPGDALDH1A1

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
WO-1994003425-A2 CARBOSTYRIL DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIA SYNTEX (U.S.A.) INC. (US) 1994-02-17 WO disclosed