SCHEMBL31145448

SCHEMBL31145448

CC(F)(F)c1ccc2c(=O)[nH]c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.47
▸ MAPT P10636 1/20 0.46
▸ CA12 O43570 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ JUN P05412 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ PGR P06401 1/20 0.37

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
SCHEMBL1458519 0.86 MAPT (0.57) KIF11MAPTCA12CA9KDM4E
SCHEMBL13244957 0.86 KIF11 (0.54) KIF11MAPTCA12CA9KDM4E
SCHEMBL8873312 0.74 MAPT (0.58) KIF11MAPTCA12CA9JUN
SCHEMBL3642521 0.73 DAO (0.60) CA12CA9KDM4EPARP1ALDH1A1
SCHEMBL30014154 0.73 KDM4E (0.53) KIF11MAPTCA12CA9KDM4E
SCHEMBL184315 0.73 KDM4E (0.53) KIF11MAPTCA12CA9KDM4E
SCHEMBL2054576 0.72 KIF11 (0.54) KIF11CA12CA9KDM4EPARP1
SCHEMBL21248093 0.72 KDM4E (0.58) KIF11MAPTCA12CA9KDM4E
SCHEMBL7040910 0.72 KIF11 (0.58) KIF11MAPTCA12CA9KDM4E
SCHEMBL7033184 0.72 KIF11 (0.58) KIF11CA12CA9KDM4EPARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528824-A 2-Oxo quinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2025-02-28 — — CN disclosed
CN-113166078-B 2-Oxo quinazoline derivatives as methionine adenosyltransferase 2A inhibitors 伊迪亚生物科学有限公司 2024-11-19 — — CN disclosed
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