SCHEMBL9651086

SCHEMBL9651086

CCN1C(=O)C(=C2Sc3ccccc3N2CCC(C)S(=O)(=O)O)SC1=S

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 16/20 0.72
▸ KMT2A Q03164 16/20 0.72
▸ MAPT P10636 9/20 0.72
▸ POLB P06746 6/20 0.72
▸ MMP13 P45452 2/20 0.72
▸ ALOX15 P16050 3/20 0.66
▸ ALOX12 P18054 3/20 0.66
▸ CASP1 P29466 3/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ CASP7 P55210 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ CTDSP1 Q9GZU7 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TDP1 Q9NUW8 5/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MAPK1 P28482 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
SCHEMBL10999670 1.00 MEN1 (0.72) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL9650232 0.89 MEN1 (0.58) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL9858105 0.84 MEN1 (1.00) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL9858108 0.84 MEN1 (1.00) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL7019338 0.82 MEN1 (1.00) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL8887899 0.82 MEN1 (1.00) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL10036060 0.82 MEN1 (1.00) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL6264761 0.81 MEN1 (0.81) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL11207327 0.81 MEN1 (0.81) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL6264757 0.81 MEN1 (0.66) MEN1KMT2AMAPTPOLBMMP13

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-5108887-A Zeromethine merocyanine dyes as J-aggregating spectral sensitizers for tabular emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-28 — — US disclosed
US-4539408-A Process for the preparation of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-09-03 — — US disclosed
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