SCHEMBL9753377

SCHEMBL9753377

CCOC(=O)c1c(-c2ccc(F)c(F)c2)nn2cccc2c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 7/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
GAA P10253 5/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.37
SPR P35270 2/20 0.37
MIF P14174 2/20 0.36
PRKCZ Q05513 1/20 0.36
TP53 P04637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL9753347 0.91 PTPRC (0.43) EGFRALDH1A1KDM4EHPGDMEN1
SCHEMBL9752865 0.89 ALDH1A1 (0.49) EGFRALDH1A1KDM4EHPGDMEN1
SCHEMBL9753865 0.85 EGFR (0.59) EGFRALDH1A1KDM4EHPGDMEN1
SCHEMBL9752829 0.83 ALDH1A1 (0.44) EGFRALDH1A1KDM4EHPGDMEN1
SCHEMBL5093057 0.81 ALDH1A1 (0.52) EGFRALDH1A1KDM4EHPGDMEN1
SCHEMBL9753208 0.80 CDC7 (0.44) EGFRALDH1A1KDM4EHPGDMEN1
SCHEMBL9753346 0.78 GCGR (0.39) EGFRALDH1A1MEN1KMT2AMIF
SCHEMBL27438905 0.76 RORC (0.38) EGFRALDH1A1MEN1KMT2AMIF
SCHEMBL9753354 0.76 PTGS2 (0.34) EGFRALDH1A1MEN1KMT2AMIF
SCHEMBL3821849 0.74 ALDH1A1 (0.49) EGFRALDH1A1KDM4EHPGDMEN1

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed