SCHEMBL9752865

SCHEMBL9752865

CCOC(=O)c1c(-c2ccc(F)cc2)nn2cccc2c1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EGFR P00533 2/20 0.48
PRKCZ Q05513 1/20 0.42
ELANE P08246 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS2 P35354 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
GRM6 O15303 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
SCHEMBL9753865 0.90 EGFR (0.59) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL9753377 0.89 EGFR (0.44) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL9753347 0.86 PTPRC (0.43) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL9752829 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL14744691 0.85 EGFR (0.65) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL9752979 0.85 KDM4E (0.51) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL9752965 0.84 MAPK14 (0.43) ALDH1A1MEN1KMT2AEGFRNPSR1
SCHEMBL9753208 0.84 CDC7 (0.44) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL5093057 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL3821849 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAMEN1

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