SCHEMBL11520359

SCHEMBL11520359

O=C(Nc1ccccc1)C(CCS(=O)(=O)Oc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.40
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
GPR17 Q13304 1/20 0.39
HTT P42858 1/20 0.39
HDAC2 Q92769 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
HCRTR1 O43613 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL19585472 0.84 HTT (0.43) MEN1KMT2AMAPTLMNACA1
SCHEMBL19585927 0.82 HTT (0.42) MEN1KMT2AMAPTLMNACA12
SCHEMBL11518725 0.81 LTA4H (0.49) CA12CA1CA2CA9
SCHEMBL19585867 0.79 HPGD (0.46) MEN1KMT2AMAPTPOLBHTT
SCHEMBL4440928 0.76 MAPT (0.48) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL11520215 0.76 LMNA (0.39) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL7203394 0.74 ALDH1A1 (0.56) MEN1KMT2AMAPTCA1CA2
SCHEMBL5705068 0.73 MAPT (0.46) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL11517933 0.73 MEN1 (0.51) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL11528868 0.72 HDAC8 (0.52) MEN1KMT2AMAPTHTTHDAC2

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-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed