SCHEMBL1083752

SCHEMBL1083752

CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCN)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
USP2 O75604 1/20 0.68
POLB P06746 1/20 0.68
PPARG P37231 1/20 0.68
BLM P54132 1/20 0.68
KMT2A Q03164 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
NCOR2 Q9Y618 1/20 0.68
CHRM1 P11229 1/20 0.55
SLC6A4 P31645 9/20 0.50
SLC6A2 P23975 5/20 0.50
SLC6A3 Q01959 5/20 0.50
APLNR P35414 3/20 0.49
TGM2 P21980 1/20 0.48
AVPR2 P30518 2/20 0.47

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
Hydrochloric Acid SCHEMBL19125054 0.98 MEN1 (0.66) MEN1USP2POLBPPARGBLM
SCHEMBL29674723 0.93 MEN1 (0.79) MEN1USP2POLBPPARGBLM
SCHEMBL30063035 0.93 MEN1 (0.79) MEN1USP2POLBPPARGBLM
SCHEMBL14351071 0.92 MEN1 (0.68) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL19125055 0.92 MEN1 (0.78) MEN1USP2POLBPPARGBLM
SCHEMBL13232606 0.92 MEN1 (0.68) MEN1USP2POLBPPARGBLM
SCHEMBL860877 0.92 MEN1 (0.72) MEN1USP2POLBPPARGBLM
Water SCHEMBL3843902 0.92 MEN1 (0.67) MEN1USP2POLBPPARGBLM
SCHEMBL12311495 0.91 MEN1 (0.66) MEN1USP2POLBPPARGBLM
SCHEMBL5712581 0.89 MEN1 (0.77) MEN1USP2POLBPPARGBLM

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-8153706-B2 Polymeric colorants having pigment and dye components and corresponding ink compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-04-10 US disclosed