Aminomethylbenzoic Acid

Aminomethylbenzoic Acid

SCHEMBL5215159

COc1ccc(CN)cc1.NCc1ccc(C(=O)O)cc1

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 1/20 0.68
POLB P06746 1/20 0.68
PLA2G4B P0C869 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.58
TAS2R14 Q9NYV8 4/20 0.56
TSHR P16473 1/20 0.56
FFAR1 O14842 1/20 0.55
MAOB P27338 1/20 0.54
PARP1 P09874 1/20 0.53
PARP10 Q53GL7 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 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
Bicarbonate SCHEMBL25353301 0.89 MAOB (0.61) CA1CA2RAB9ASMN1; SMN2NPC1
Acetic Acid SCHEMBL28065462 0.87 MAOB (0.59) CA1CA2RAB9ASMN1; SMN2NPC1
Aminomethylbenzoic Acid SCHEMBL5213365 0.85 MMP13 (0.62) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL26116709 0.85 SRD5A2 (0.66) RAB9ASMN1; SMN2NPC1POLBLOXL2
SCHEMBL12243323 0.85 CA1 (0.77) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL11464459 0.85 CA1 (0.77) CA1CA2RAB9ASMN1; SMN2NPC1
P-Anisic Acid SCHEMBL17509999 0.85 CA1 (0.91) CA1CA2RAB9ASMN1; SMN2NPC1
Aminomethylbenzoic Acid SCHEMBL11755138 0.85 ALDH1A1 (0.61) SMN1; SMN2POLBLOXL2TSHRTP53
P-Anisic Acid SCHEMBL1157044 0.84 CA1 (1.00) CA1CA2RAB9ASMN1; SMN2NPC1
Aminomethylbenzoic Acid SCHEMBL9344424 0.84 ALDH1A1 (0.60) CA1CA2SMN1; SMN2POLBLOXL2

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
EP-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP claimed