SCHEMBL31393232

SCHEMBL31393232

CC(C)(C)n1c(=O)[nH]c2cc(C(F)(F)F)ccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA9 Q16790 1/20 0.65
KIF11 P52732 11/20 0.54
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNMA1 Q12791 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.44
DDR1 Q08345 2/20 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
SCHEMBL31393155 0.88 DDR1 (0.52) CA12CA9KIF11MEN1KMT2A
SCHEMBL7178557 0.83 MEN1 (0.56) CA12CA9KIF11MAPTMEN1
SCHEMBL18837512 0.82 FEN1 (0.60) CA12CA9MEN1KMT2A
SCHEMBL31393148 0.82 FEN1 (0.60) CA12CA9MEN1KMT2A
SCHEMBL31189202 0.80 METAP2 (0.42) CA12CA9MAPT
SCHEMBL31393237 0.80 DAO (0.45) CA12CA9KIF11MEN1KMT2A
SCHEMBL22716853 0.80 METAP2 (0.42) CA12CA9MAPT
SCHEMBL31393248 0.79 CA9 (0.60) CA12CA9MEN1TSHRKMT2A
SCHEMBL31393151 0.77 KDM4E (0.51) CA12CA9MAPTMEN1TSHR
SCHEMBL7650487 0.74 ADORA3 (0.61) CA12CA9CYP1A2TSHR

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
CN-119462529-A Method for synthesizing quinazoline diketone compound 广西师范大学 2025-02-18 CN disclosed