SCHEMBL31366899

SCHEMBL31366899

O=C1c2ccccc2C(=O)N1OCC#CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 2/20 0.42
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MC4R P32245 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL31366887 0.77 GAA (0.53) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL9316385 0.73 GAA (0.49) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL9066846 0.73 GAA (0.49) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL3755047 0.73 GAA (0.56) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL698426 0.73 GAA (0.56) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL2077117 0.71 GAA (0.55) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL31712163 0.71 GAA (0.55) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL13545621 0.71 GAA (0.69) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL22326350 0.69 GAA (0.88) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL24753894 0.69 GAA (0.51) GAAALDH1A1KMT2ACYP1A2MAPT

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-119421874-A Aromatic amide derivative and application thereof in antitumor drugs 上海喆邺生物科技有限公司 2025-02-11 CN disclosed