SCHEMBL9161393

SCHEMBL9161393

[N-]=[N+]=NOC(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
PAM P19021 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.46
THRB P10828 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL27335708 0.83 KMT2A (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL15286635 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL28340800 0.76 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPK1PAMSMN1; SMN2
SCHEMBL27842393 0.75 PLAU (0.48) L3MBTL1ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL14667498 0.73 L3MBTL1 (0.60) L3MBTL1ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL1229088 0.72 ALPI (0.53)
SCHEMBL28945036 0.72 ALPI (0.53)
Benzene SCHEMBL9407299 0.72 ALDH1A1 (0.65) L3MBTL1ALDH1A1MAPK1PAMSMN1; SMN2
SCHEMBL248113 0.72 ALDH1A1 (0.65) L3MBTL1ALDH1A1MAPK1PAMSMN1; SMN2
SCHEMBL664857 0.72 ALDH1A1 (0.65) L3MBTL1ALDH1A1MAPK1PAMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385804-A Silicon containing negative resist for DUV, I-line or E-beam lithography comprising an aromatic azide side group in the polysilsesquioxane polymer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1995-01-31 US disclosed