SCHEMBL28487397

SCHEMBL28487397

Nc1cc(N)cc(C(=O)O)c1.Nc1ccc(N)c(C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.75
MEN1 O00255 5/20 0.75
TDP1 Q9NUW8 5/20 0.75
MAPT P10636 4/20 0.75
THRB P10828 3/20 0.75
RECQL P46063 2/20 0.75
MCL1 Q07820 2/20 0.75
USP2 O75604 1/20 0.75
POLB P06746 1/20 0.75
PKM P14618 1/20 0.75
APEX1 P27695 1/20 0.75
BLM P54132 1/20 0.75
KDM4E B2RXH2 7/20 0.55
GFER P55789 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 2/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 2/20 0.53
HSD17B10 Q99714 2/20 0.53

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
SCHEMBL107833 0.88 KMT2A (0.95) KMT2AMEN1TDP1MAPTTHRB
Hydrochloric Acid SCHEMBL864766 0.86 KMT2A (1.00) KMT2AMEN1TDP1MAPTTHRB
SCHEMBL28060310 0.85 KMT2A (0.52) KMT2AMEN1TDP1MAPTTHRB
SCHEMBL29091434 0.82 TDP1 (0.70) KMT2AMEN1TDP1MAPTTHRB
SCHEMBL9768929 0.81 TDP1 (0.81) KMT2AMEN1TDP1MAPTTHRB
SCHEMBL10434364 0.81 KDM4E (0.77) KMT2AMEN1TDP1MAPTTHRB
SCHEMBL109155 0.79 KDM4E (0.56) KMT2AMEN1TDP1MAPTKDM4E
SCHEMBL10434174 0.78 MAPT (0.59) KMT2AMEN1TDP1MAPTTHRB
3-Aminobenzoic Acid SCHEMBL10379921 0.78 PBRM1 (0.53) KMT2AMEN1TDP1MAPTTHRB
SCHEMBL265109 0.78 KDM4E (0.65) KMT2AMEN1TDP1MAPTTHRB

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-112062949-B Semi-aromatic polyamino acid, semi-aromatic polyamino acid-based bone repair material and preparation thereof 中鼎凯瑞科技成都有限公司 2023-04-25 CN disclosed
CN-112062949-A Semi-aromatic polyamino acid, semi-aromatic polyamino acid-based bone repair material and preparation thereof 中鼎凯瑞科技成都有限公司 2020-12-11 CN disclosed