SCHEMBL2333283

SCHEMBL2333283

N#Cc1cccc(CN2CC(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.50
PARG Q86W56 2/20 0.41
THRB P10828 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
PTGDR Q13258 4/20 0.37
TBXA2R P21731 2/20 0.37
PTGIR P43119 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
SCHEMBL1189010 0.87 F10 (0.54) F10MEN1KMT2ATP53ALDH1A1
SCHEMBL2325323 0.83 F10 (0.50) F10
Trifluoroacetic Acid SCHEMBL2327044 0.78 F10 (0.65) F10
SCHEMBL6858450 0.73 UCHL1 (0.50) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL8425432 0.70 SIRT2 (0.42) F10SIRT2SIRT1ALDH1A1HPGD
SCHEMBL651578 0.70 FNTA (0.62) F10THRBFNTAFNTBSIRT2
SCHEMBL6157745 0.69 HCRTR1 (0.48) HPGDTSHRCYP1A2CYP2C19CYP3A4
SCHEMBL650207 0.69 FNTA (0.61) F10THRBFNTAFNTBSIRT2
SCHEMBL7415513 0.68 SIRT2 (0.51) SIRT2SIRT1ALDH1A1HPGDTSHR
SCHEMBL653291 0.67 FNTA (0.57) THRBFNTAFNTBSIRT2SIRT1

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
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed