SCHEMBL28106512

SCHEMBL28106512

[N-]=[N+]=NCc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSB P07858 1/20 0.47
GAA P10253 2/20 0.46
THRB P10828 1/20 0.46
ERN1 O75460 1/20 0.44
NOX4 Q9NPH5 1/20 0.43
APP P05067 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
Toluene SCHEMBL28106006 0.90 ITGA4 (0.42) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL13644918 0.82 PTPRC (0.38) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL27963567 0.82 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL28045528 0.82 KDM4E (0.37) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL25407097 0.81 ALDH1A1 (0.50) ALDH1A1TP53SMN1; SMN2GAAPOLB
SCHEMBL28045670 0.80 KMT2A (0.41) ALDH1A1TP53TSHRMAPK1SMN1; SMN2
SCHEMBL28136295 0.79 KDM4E (0.36) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL13762643 0.79 HTT (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2POLB
SCHEMBL14270225 0.79 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2GAATHRB
SCHEMBL14983016 0.78 TDP1 (0.50) ALDH1A1HPGDSMN1; SMN2POLBMEN1

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-105936626-B A kind of preparation method of amino protecting group 济南大学 2017-11-03 CN claimed
CN-105936626-B A kind of preparation method of amino protecting group 济南大学 2017-11-03 CN disclosed
CN-105936626-A Preparation method of amino protection group 济南大学 2016-09-14 CN disclosed
CN-105936626-A Preparation method of amino protection group 济南大学 2016-09-14 CN disclosed