SCHEMBL6409156

SCHEMBL6409156

Clc1ccc(-c2cc3c(Cl)ncnc3o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
GSK3B P49841 4/20 0.54
KDR P35968 3/20 0.54
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
THRB P10828 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCHE P06276 1/20 0.45
EGFR P00533 5/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL20742179 0.87 GSK3B (0.52) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL759984 0.87 HPGD (0.60) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL5412486 0.84 HPGD (0.54) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL6409547 0.83 EGFR (0.57) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL5354432 0.81 MEN1 (0.45) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL6417988 0.76 GSK3B (0.57) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL31512156 0.73 HPGD (0.37) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL5357782 0.72 GABRP (0.54) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL16564212 0.72 ALDH1A1 (0.49) HPGDKMT2AMEN1GSK3BKDR
SCHEMBL8293575 0.72 GSK3B (1.00) HPGDKMT2AMEN1GSK3BKDR

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-2005092896-A1 COMPOUND FOR INHIBITING TYROSINE KINASE ACTIVITY OF DDR2 PROTEIN KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-10-06 WO disclosed