SCHEMBL29200760

SCHEMBL29200760

COC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.54
HCAR3 P49019 3/20 0.54
VCAM1 P19320 1/20 0.53
NR3C1 P04150 2/20 0.48
THRA P10827 2/20 0.47
THRB P10828 2/20 0.47
VDR P11473 1/20 0.47

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
SCHEMBL31612034 0.86 HCAR3 (0.68) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL17085960 0.84 POLB (0.49) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL29441709 0.84 POLB (0.49) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL11280733 0.84 KMT2A (0.56) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL11248788 0.82 HCAR3 (0.46) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL3970830 0.81 NR3C1 (0.62) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL24549803 0.80 POLB (0.49) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL17080210 0.79 HCAR3 (0.50) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL1110902 0.79 HCAR3 (0.70) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL3963496 0.77 NR3C1 (0.57) MAPTMEN1KMT2APOLBNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332779-B Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2025-06-10 CN claimed
CN-116332779-A Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2023-06-27 CN claimed
CN-116332779-B Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2025-06-10 CN disclosed
CN-116332779-B Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2025-06-10 CN disclosed
CN-116332779-A Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2023-06-27 CN disclosed
CN-116332779-A Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2023-06-27 CN disclosed