SCHEMBL30686019

SCHEMBL30686019

CC(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLA2G4A P47712 1/20 0.42
LTB4R Q15722 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
CDK2 P24941 3/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL28519202 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL2643559 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL10746517 0.83 CDK2 (0.53) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL30686035 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL28528562 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL29118147 0.81 MAPT (0.46) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL10746070 0.80 KDM4E (0.62) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL4154022 0.79 KDM4E (0.42) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL28520291 0.79 POLB (0.40) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL30686017 0.79 POLB (0.40) MEN1KMT2AALDH1A1MAPTTDP1

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-112409332-B Triazole derivative and application thereof in medicines 广东东阳光药业股份有限公司 2023-12-08 CN disclosed