SCHEMBL11193048

SCHEMBL11193048

CCN(CC)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.56
▸ KMT2A Q03164 10/20 0.56
▸ MAPT P10636 8/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ POLB P06746 3/20 0.56
▸ THRB P10828 1/20 0.56
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL11429429 0.89 CYP1A2 (0.69) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL11427771 0.86 MEN1 (0.62) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL6881555 0.84 MEN1 (0.62) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL10893771 0.83 ESRRG (0.57) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL8356134 0.83 KCNK3 (0.63) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL11203123 0.82 ESRRG (0.56) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL10384848 0.82 KCNK3 (0.58) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL8710919 0.80 MEN1 (0.80) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL11197369 0.80 NPC1 (0.67) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL11427459 0.80 KMT2A (0.61) MEN1KMT2AMAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 — — US disclosed
US-4240959-A FOR ACRYLONITRILE POLYMER OR COPOLYMER FIBERS; FASTNESS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1980-12-23 — — US disclosed
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