SCHEMBL11429429

SCHEMBL11429429

CCN(CC)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ MEN1 O00255 11/20 0.66
▸ KMT2A Q03164 11/20 0.66
▸ MAPT P10636 5/20 0.66
▸ POLB P06746 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ THRA P10827 1/20 0.59
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SETD7 Q8WTS6 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55

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
SCHEMBL11193048 0.89 MEN1 (0.56) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL11433748 0.86 MEN1 (0.71) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL10943066 0.83 KMT2A (0.94) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL6881555 0.83 MEN1 (0.62) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL8356134 0.82 KCNK3 (0.63) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL6787077 0.81 MEN1 (0.75) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL1026082 0.81 MEN1 (0.63) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL1026084 0.81 MEN1 (0.63) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL17409104 0.81 MEN1 (0.78) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL18300094 0.80 MEN1 (1.00) CYP1A2CYP3A4CYP2C9MEN1KMT2A

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-4240959-A FOR ACRYLONITRILE POLYMER OR COPOLYMER FIBERS; FASTNESS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1980-12-23 — — US disclosed
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