SCHEMBL14744243

SCHEMBL14744243

O=C(O)c1cc2cc(Cl)cc(Cl)c2c(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
USP2 O75604 2/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DAO P14920 1/20 0.46
F12 P00748 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 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
SCHEMBL14743830 0.81 MAPT (0.43) GPR35HPGDALOX15USP2POLB
SCHEMBL2896018 0.77 GPR35 (0.63) GPR35HPGDALOX15USP2POLB
Hydrochloric Acid SCHEMBL11746382 0.76 GPR35 (0.61) GPR35HPGDALOX15USP2POLB
SCHEMBL26581240 0.68 PIM1 (0.45) GPR35HPGDALOX15USP2POLB
SCHEMBL19665842 0.68 MCL1 (0.57) GPR35HPGDALOX15USP2POLB
SCHEMBL29526778 0.67 PIM1 (0.64) GPR35HSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL175987 0.67 ALDH1A1 (0.59) HPGDUSP2POLBHSD17B10KDM4E
SCHEMBL705754 0.67 PIM1 (0.64) GPR35HSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL9068668 0.67 GPR35 (1.00) GPR35HPGDALOX15USP2POLB
SCHEMBL5563631 0.67 ALDH1A1 (0.58) GPR35HPGDALOX15USP2POLB

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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed