SCHEMBL12830660

SCHEMBL12830660

C=S(N)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CC2CCCO2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.81
▸ USP2 O75604 2/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ TSHR P16473 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ LMNA P02545 1/20 0.64
▸ CA2 P00918 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ MEN1 O00255 1/20 0.61
▸ HTT P42858 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ PABPC1 P11940 1/20 0.54

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
SCHEMBL12870002 0.75 USP2 (0.70) KMT2AUSP2TSHRSMN1; SMN2LMNA
SCHEMBL14428687 0.75 KMT2A (0.70) KMT2AUSP2KDM4ETSHRSMN1; SMN2
SCHEMBL8289713 0.71 ALDH1A1 (0.71) KMT2AUSP2KDM4ETSHRSMN1; SMN2
SCHEMBL20614872 0.71 SMN1; SMN2 (0.87) KMT2AUSP2KDM4ESMN1; SMN2LMNA
SCHEMBL3871973 0.69 CA2 (0.76) KMT2AUSP2KDM4ETSHRSMN1; SMN2
SCHEMBL13977453 0.67 CTSD (0.78) KMT2AUSP2KDM4ETSHRALDH1A1
SCHEMBL3873519 0.67 CA2 (0.77) TSHRSMN1; SMN2LMNACA2ALDH1A1
SCHEMBL3867743 0.66 KMT2A (0.59) KMT2AUSP2KDM4ETSHRSMN1; SMN2
SCHEMBL2354757 0.65 KMT2A (0.58) KMT2AUSP2KDM4ETSHRLMNA
SCHEMBL5152197 0.65 TP53 (0.65) KMT2AUSP2KDM4ETSHRSMN1; SMN2

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-2289504-A2 SIRT1 modulators for manipulating cell/organism lifespan/stress response President and Fellows of Harvard College (US) 2011-03-02 — — EP disclosed
US-7544497-B2 Compositions for manipulating the lifespan and stress response of cells and organisms PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-06-09 — — US disclosed
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