SCHEMBL29607244

SCHEMBL29607244

Cc1ccc2ncn(C)c(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
IP6K1 Q92551 1/20 0.57
KDM4E B2RXH2 2/20 0.55
ACVR1 Q04771 2/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.49
PARP1 P09874 1/20 0.49
TGFBR1 P36897 4/20 0.48
ACVR1B P36896 1/20 0.47
F2RL3 Q96RI0 1/20 0.46
BRAF P15056 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL7600132 1.00 L3MBTL1 (0.60) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL7600928 0.86 L3MBTL1 (0.49) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL31723363 0.81 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL9919060 0.81 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL422211 0.81 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL24072199 0.81 PARP1 (0.51) L3MBTL1IP6K1KDM4EALDH1A1PARP1
SCHEMBL3230513 0.81 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL9919058 0.81 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL30898575 0.81 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1
SCHEMBL9922439 0.81 L3MBTL1 (0.59) L3MBTL1IP6K1KDM4EACVR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119744260-A Benzopyrimidin-4 (3H) -ones as PI3K inhibitors 恩库勒公司 2025-04-01 CN disclosed
CN-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 CN disclosed
CN-114621194-A 4-methylene-N-hydroxybenzamide compound and application thereof 沈阳药科大学 2022-06-14 CN disclosed