SCHEMBL9872297

SCHEMBL9872297

CC(C)Oc1ccc(N2CSCN(c3ccc(OC(C)C)cc3)C2=S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A3 P47895 1/20 0.37
MAPT P10636 5/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
CYP11B2 P19099 1/20 0.34
LIPE Q05469 3/20 0.34
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL9872539 0.80 KMT2A (0.41) KMT2AALDH1A3MAPTALDH1A1USP2
SCHEMBL11504237 0.69 KMT2A (0.49) KMT2AALDH1A3MAPTALDH1A1USP2
SCHEMBL125543 0.68 ALDH1A3 (0.64) KMT2AALDH1A3GAAALDH1A1TP53
SCHEMBL9870477 0.67 POLB (0.50) KMT2AALDH1A3MAPTGAAALDH1A1
SCHEMBL20000542 0.66 MAPT (0.66) KMT2AALDH1A3MAPTGAAALDH1A1
SCHEMBL25094272 0.66 LIPE (0.53) KMT2AMAPTALDH1A1USP2ALOX15
Hydrogen Peroxide SCHEMBL28902806 0.64 KMT2A (0.70) KMT2AALDH1A3GAAALDH1A1TP53
SCHEMBL2579648 0.63 HTR3E (0.48) KMT2AMAPTGAATP53SMN1; SMN2
SCHEMBL2096252 0.63 ALDH1A3 (0.52) KMT2AALDH1A3GAAALDH1A1SMN1; SMN2
SCHEMBL5563 0.63 PARP10 (0.54) KMT2AALDH1A3MAPTGAAALDH1A1

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-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed