SCHEMBL28997262

SCHEMBL28997262

C=CCCC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
HSD17B10 Q99714 1/20 0.54
KCNJ5 P48544 1/20 0.54
KCNJ3 P48549 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 2/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL30226098 1.00 MAPT (0.56) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL22743387 0.82 GAA (0.60) MAPTKMT2AALDH1A1MEN1MAOA
SCHEMBL30544715 0.82 HDAC3 (0.62) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL30225952 0.82 MEN1 (0.66) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL28997258 0.82 MEN1 (0.66) KMT2AALDH1A1MEN1SMN1; SMN2NPC1
SCHEMBL823968 0.82 HDAC4 (0.62) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL29054673 0.82 HDAC3 (0.62) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL9373098 0.81 KMT2A (0.62) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL9373685 0.81 KMT2A (0.62) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL2274138 0.81 ALDH1A1 (0.58) MAPTKMT2AALDH1A1MEN1LMNA

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-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN claimed
CN-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed