SCHEMBL9598481

SCHEMBL9598481

CCN(CC)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(NS(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MLNR O43193 1/20 0.32
LMNA P02545 1/20 0.32
MMP1 P03956 1/20 0.32
MPO P05164 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9598478 1.00 CYP19A1 (0.36) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL9588413 0.93 CYP19A1 (0.37) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL9588417 0.93 CYP19A1 (0.37) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL8898950 0.87 MAPT (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8898945 0.87 MAPT (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL31173922 0.87 MAPT (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11222989 0.85 RECQL (0.41) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL11223012 0.85 RECQL (0.41) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL29363175 0.85 RECQL (0.41) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL17342984 0.84 KDM4E (0.36) MAPTMEN1KMT2AALDH1A1KDM4E

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-5234887-A Sheet coated with a phenyl azo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed