SCHEMBL9214864

SCHEMBL9214864

CN(C(=O)c1ccccc1)[C@@](N)(CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.37
HSD11B1 P28845 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL2983109 0.73 KMT2A (0.50) KMT2AALDH1A1MEN1CYP1A2THRB
SCHEMBL8459977 0.71 ALDH1A1 (0.41) NR4A2KMT2AALDH1A1HPGDGAA
SCHEMBL3943718 0.70 CYP2C19 (0.44) KMT2AALDH1A1MEN1CYP1A2HPGD
SCHEMBL15104417 0.69 SMN1; SMN2 (0.47) NR4A2KMT2AALDH1A1MEN1CYP1A2
SCHEMBL6499020 0.69 POLB (0.55) KMT2AALDH1A1MEN1CYP1A2HPGD
SCHEMBL13460050 0.68 KMT2A (0.52) NR4A2KMT2AMEN1HDAC1HDAC6
SCHEMBL22147214 0.68 ALDH1A1 (0.45) KMT2AALDH1A1MEN1CYP1A2HPGD
SCHEMBL6279720 0.68 NR1H3 (0.50) KMT2AALDH1A1HPGDHSD11B1POLB
Succinic Acid SCHEMBL27852517 0.68 NR4A2 (0.57) NR4A2KMT2AALDH1A1MEN1CYP1A2
SCHEMBL12360014 0.66 POLB (0.47) KMT2AALDH1A1HPGDHSD11B1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2104587-A None JP disclosed
EP-0344922-B1 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives UNIV PRINCETON (US) 1995-10-18 EP disclosed
EP-0344922-A3 N-(N-(TETRAHYDROPYRIDO(2,3-D)PYRIMIDINYLMETHYL)-AMINOMETHYLBENZOYL)GLUTAMIC ACID DERIVATIVES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-06-05 EP disclosed
JP-H02104587-A N-(N-(TETRAHYDROPYRIDO(2,3-D)PYRIMIDINYLMETHYL) AMINOMETHYLBENZOYL)GLUTAMIC ACID DERIVATIVE UNIV PRINCETON 1990-04-17 JP disclosed
EP-0344922-A2 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-12-06 EP disclosed
EP-0344922-A2 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-12-06 EP disclosed
US-4871746-A N-[N-(tetrahydropyrido[2,3-D]pyrimidinylmethyl)-aminomethylbenzoyl]glutamic acid derivatives as neoplastic growth inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed
US-4871746-A N-[N-(tetrahydropyrido[2,3-D]pyrimidinylmethyl)-aminomethylbenzoyl]glutamic acid derivatives as neoplastic growth inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed