SCHEMBL30236290

SCHEMBL30236290

O=C(NCc1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
MEN1 O00255 1/20 0.75
HPGD P15428 5/20 0.73
HTT P42858 2/20 0.73
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C19 P33261 2/20 0.71
CTSD P07339 1/20 0.64
ALDH1A1 P00352 2/20 0.63
GAA P10253 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 1/20 0.60
SLC12A2 P55011 1/20 0.60
SLC12A5 Q9H2X9 1/20 0.60
SIRT6 Q8N6T7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
APEX1 P27695 1/20 0.57
METAP2 P50579 1/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56

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
SCHEMBL19246188 1.00 KMT2A (0.75) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL7160222 0.90 HPGD (0.62) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL9647881 0.90 HPGD (0.72) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL4476754 0.88 NSD2 (0.62) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL19246212 0.88 HPGD (0.74) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL6361018 0.88 HPGD (0.70) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL19246200 0.85 HTT (0.62) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL6986059 0.85 HTT (1.00) KMT2AMEN1HPGDHTTALDH1A1
SCHEMBL27804212 0.85 HPGD (0.77) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL9645054 0.85 HPGD (1.00) KMT2AMEN1HPGDHTTALDH1A1

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-111646908-B Method for preparing aromatic amine compound 宜昌尚诺德生物医药科技有限公司 2023-03-10 CN disclosed
CN-111732493-B Synthesis process of arylamine compound 宜昌尚诺德生物医药科技有限公司 2023-01-24 CN disclosed