SCHEMBL1586022

SCHEMBL1586022

CCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
USP2 O75604 1/20 0.47
HPGD P15428 5/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IGF1R P08069 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL5138552 0.88 KMT2A (0.67) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL28896761 0.77 CRHBP (0.43) KMT2AHPGDCYP1A2CYP3A4IGF1R
SCHEMBL29211280 0.73 CRHBP (0.40) KMT2AHPGDCYP1A2CYP3A4IGF1R
SCHEMBL14398401 0.72 KMT2A (0.51) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL21296716 0.72 MAPK1 (0.46) KMT2AHPGDTSHRCYP1A2CYP3A4
SCHEMBL6831526 0.71 KMT2A (0.43) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL18608207 0.71 CA1 (0.63) KMT2AHPGDCYP1A2CYP3A4MAPK1
SCHEMBL6835420 0.70 KMT2A (0.41) KMT2AUSP2HPGDCYP1A2CYP3A4
SCHEMBL11363402 0.69 KMT2A (1.00) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL24392210 0.68 KMT2A (0.45) KMT2AUSP2HPGDTSHRCYP1A2

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-2011048611-A1 NOVEL FUSED PYRIDAZINE DERIVATIVES TORRENT PHARMACEUTICALS LIMITED (IN) 2011-04-28 WO disclosed