SCHEMBL31393152

SCHEMBL31393152

COC(=O)c1ccc2[nH]c(=O)n(C(C)(C)C)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 5/20 0.54
HPGD P15428 4/20 0.54
KIF11 P52732 2/20 0.53
KMT2A Q03164 6/20 0.49
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CREBBP Q92793 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2115896 0.82 KDM4E (0.58) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL31393249 0.78 ALDH1A1 (0.53) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL28063129 0.76 KIF11 (0.70) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL6309992 0.76 CA9 (0.62) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL31393212 0.76 CA9 (0.62) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL31393153 0.76 ALDH1A1 (0.49) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL6243745 0.75 MAPT (0.60) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL22716907 0.75 HAVCR2 (0.48) ALDH1A1HSD17B10HPGDKMT2AHTT
SCHEMBL22745955 0.75 FEN1 (0.60) KDM4EALDH1A1KMT2AGAAGLA
SCHEMBL28286807 0.74 ALDH1A1 (0.52) RAB9ANPC1KDM4EALDH1A1HSD17B10

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