SCHEMBL31490867

SCHEMBL31490867

COC(=O)c1cc(Cc2ccc(OC)cc2)cc(N)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ HPGD P15428 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ GAA P10253 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL31490846 1.00 ALDH1A1 (0.52) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL1116017 0.81 KDM4E (0.45) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL11616565 0.74 ALDH1A1 (0.44) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL20010444 0.74 KDM4E (0.42) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL1202303 0.74 KDM4E (0.42) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL24526306 0.73 KDM4E (0.47) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL95380 0.72 HPGD (0.56) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL13539015 0.72 KDM4E (0.56) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL15831652 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL1116207 0.72 ABL1 (0.54) ALDH1A1HPGDMAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661386-A Synthesis method and compound of 3-amino-5- (4-methoxybenzyl) -2-nitrobenzoic acid methyl ester 上海毕得医药科技股份有限公司 2025-03-21 — — CN claimed
CN-119661386-A Synthesis method and compound of 3-amino-5- (4-methoxybenzyl) -2-nitrobenzoic acid methyl ester 上海毕得医药科技股份有限公司 2025-03-21 — — CN disclosed
CN-119661386-A Synthesis method and compound of 3-amino-5- (4-methoxybenzyl) -2-nitrobenzoic acid methyl ester 上海毕得医药科技股份有限公司 2025-03-21 — — CN disclosed
CN-119661386-A Synthesis method and compound of 3-amino-5- (4-methoxybenzyl) -2-nitrobenzoic acid methyl ester 上海毕得医药科技股份有限公司 2025-03-21 — — CN disclosed
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