SCHEMBL1287531

SCHEMBL1287531

Cc1cc(C(=O)NCCC(=O)O)ccc1CN(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ CXCR3 P49682 6/20 0.49
▸ TMEM97 Q5BJF2 4/20 0.46
▸ SIGMAR1 Q99720 4/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ GCG P01275 1/20 0.46
▸ TAS2R14 Q9NYV8 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ TBXAS1 P24557 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43

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
SCHEMBL1287468 0.86 MEN1 (0.64) MEN1KMT2APOLBCXCR3TMEM97
SCHEMBL1287330 0.86 MEN1 (0.64) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287435 0.78 MEN1 (0.66) MEN1KMT2APOLBCXCR3TMEM97
SCHEMBL1287403 0.78 MEN1 (0.62) MEN1KMT2APOLBCXCR3TMEM97
SCHEMBL1287387 0.77 TAS2R14 (0.57) MEN1KMT2APOLBTAS2R14
SCHEMBL1287293 0.75 MEN1 (0.60) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL10461750 0.74 MEN1 (0.75) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287336 0.74 MEN1 (0.62) MEN1KMT2APOLBCXCR3TMEM97
SCHEMBL1287415 0.73 TP53 (0.61) MEN1KMT2APOLBCXCR3TAS2R14
SCHEMBL1287273 0.73 MEN1 (0.89) MEN1KMT2APOLBCXCR3TAS2R14

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
WO-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 — — WO disclosed
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