SCHEMBL11821805

SCHEMBL11821805

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)S(=O)(=O)c1ccc(SCc2cccc(Br)c2)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ S1PR3 Q99500 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ CA2 P00918 4/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ P4HB P07237 1/20 0.38

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
SCHEMBL11825369 1.00 KMT2A (0.45) KMT2AMEN1HTTS1PR3ALDH1A1
SCHEMBL11819918 0.96 KMT2A (0.47) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL11818861 0.92 KMT2A (0.45) KMT2AMEN1HTTS1PR3ALDH1A1
SCHEMBL11822163 0.90 CA2 (0.47) KMT2AMEN1S1PR3ALDH1A1MAPT
SCHEMBL11818580 0.90 CA2 (0.47) KMT2AMEN1S1PR3ALDH1A1MAPT
SCHEMBL11819921 0.89 CNR2 (0.48) KMT2AMEN1ALDH1A1MAPTCNR2
SCHEMBL11820442 0.89 PTPRC (0.46) KMT2AS1PR3CNR2VCAM1CA2
SCHEMBL11820489 0.89 PTPRC (0.46) KMT2AS1PR3CNR2VCAM1CA2
SCHEMBL11825334 0.86 KMT2A (0.43) KMT2AMEN1HTTALDH1A1VCAM1
SCHEMBL11820805 0.86 CA2 (0.48) KMT2AMEN1ALDH1A1MAPTVCAM1

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-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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