SCHEMBL31393151

SCHEMBL31393151

COc1ccc2c(=O)n(C(C)(C)C)c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
HSD17B10 Q99714 3/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 6/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 2/20 0.43
CA1 P00915 1/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ROCK2 O75116 1/20 0.41
CCNE2 O96020 1/20 0.41

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
SCHEMBL31393249 0.88 ALDH1A1 (0.53) KDM4EHSD17B10PKMALDH1A1HPGD
SCHEMBL16997512 0.80 PDE3B (0.45) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL31189202 0.80 METAP2 (0.42) CDK4CCND1HPGDCA9CA12
SCHEMBL22716853 0.80 METAP2 (0.42) CDK4CCND1HPGDCA9CA12
SCHEMBL31393237 0.80 DAO (0.45) KDM4EALDH1A1CDK4CCND1HPGD
SCHEMBL707203 0.80 ADORA3 (0.56) KDM4EHSD17B10PKMALDH1A1CDK4
SCHEMBL18837512 0.79 FEN1 (0.60) KDM4EALDH1A1HPGDCA9CA12
SCHEMBL31393148 0.79 FEN1 (0.60) KDM4EALDH1A1HPGDCA9CA12
SCHEMBL31393248 0.79 CA9 (0.60) SMN1; SMN2CA9CA12MEN1TSHR
SCHEMBL31393232 0.77 CA12 (0.65) HSD17B10CA9CA12MAPTNPSR1

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