SCHEMBL28045670

SCHEMBL28045670

[N-]=[N+]=NCc1cc([N+](=O)[O-])ccc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 2/20 0.38
POLB P06746 4/20 0.36
MEN1 O00255 2/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 4/20 0.36
CES2 O00748 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL25407097 0.88 ALDH1A1 (0.50) KMT2AALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28106512 0.80 GPR35 (0.47) KMT2AALDH1A1TSHRPOLBMEN1
SCHEMBL8093106 0.78 KMT2A (0.49) KMT2AALDH1A1TSHRTDP1CYP3A4
SCHEMBL7896723 0.78 KMT2A (0.49) KMT2AALDH1A1TSHRTDP1CYP3A4
SCHEMBL13644918 0.77 PTPRC (0.38) KMT2AALDH1A1TSHRTDP1CYP3A4
SCHEMBL27963567 0.77 ALDH1A1 (0.50) KMT2AALDH1A1TSHRTDP1CYP3A4
SCHEMBL28045528 0.77 KDM4E (0.37) KMT2AALDH1A1TSHRTDP1CYP3A4
SCHEMBL19695124 0.76 KMT2A (0.44) KMT2AALDH1A1TSHRTDP1CYP3A4
SCHEMBL28136295 0.75 KDM4E (0.36) KMT2AALDH1A1TSHRTDP1CYP3A4
SCHEMBL13762643 0.75 HTT (0.42) KMT2AALDH1A1TSHRCYP3A4POLB

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-105218397-A The synthetic method of 2-azido-methyl-4-nitrobenzoyl chloride UNIV JINAN 2016-01-06 CN claimed
CN-105218397-B Method for synthesizing 2-azidomethyl-4-nitrobenzoyl chloride 济南大学 2017-05-10 CN disclosed
CN-105218397-B Method for synthesizing 2-azidomethyl-4-nitrobenzoyl chloride 济南大学 2017-05-10 CN disclosed
CN-105218397-B Method for synthesizing 2-azidomethyl-4-nitrobenzoyl chloride 济南大学 2017-05-10 CN disclosed
CN-105218397-A The synthetic method of 2-azido-methyl-4-nitrobenzoyl chloride UNIV JINAN 2016-01-06 CN disclosed
CN-105218397-A The synthetic method of 2-azido-methyl-4-nitrobenzoyl chloride UNIV JINAN 2016-01-06 CN disclosed