SCHEMBL11081067

SCHEMBL11081067

COc1cc([N+]#N)c(Cl)cc1NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPK1 P28482 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ AHR P35869 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50

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
Trifluoromethanesulfonic Acid SCHEMBL11062968 0.89 KMT2A (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL10973722 0.88 MEN1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4608764 0.87 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11690434 0.86 MEN1 (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Zinc Chloride SCHEMBL30135274 0.85 MEN1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL14588703 0.85 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11693570 0.85 MEN1 (0.63) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4223927 0.84 KDM4E (0.75) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL7553008 0.82 TP53 (0.51) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL8777761 0.81 KMT2A (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1

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-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 — — US disclosed
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