SCHEMBL7429502

SCHEMBL7429502

CCCC1=C(C(=O)O)C(c2cccc(Cl)c2Cl)c2c[nH]nc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ABCB11 O95342 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
NR1I2 O75469 1/20 0.42
GMNN O75496 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
SCHEMBL7441431 0.91 PYGL (0.39) KDM4EKMT2ATSHRLMNAHSD17B10
SCHEMBL6293510 0.89 CYP2C9 (0.54) CYP2C9KDM4EMEN1KMT2ATSHR
SCHEMBL7436372 0.87 P2RX7 (0.34) CACNA1C
SCHEMBL7433250 0.86 CACNA1C (0.41) CYP2C9KDM4EKMT2ATSHRLMNA
SCHEMBL7433258 0.86 CACNA1C (0.41) CYP2C9KDM4EKMT2ATSHRLMNA
SCHEMBL7027096 0.85 TSHR (0.35) TSHR
SCHEMBL7431137 0.85 ALOX15 (0.36) CYP2C9KDM4EMEN1KMT2ATSHR
SCHEMBL7437504 0.83 NR3C2 (0.37) CYP2C9TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL7435806 0.83 MEN1 (0.39) KDM4EMEN1KMT2ATSHRALDH1A1
SCHEMBL7017886 0.83 CACNA1D (0.31) CACNA1D

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-2002062795-A9 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2002-10-10 WO disclosed