SCHEMBL13080176

SCHEMBL13080176

OCc1c(-c2ccc(S)cc2)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FTO Q9C0B1 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CALM1 P0DP23 1/20 0.41
▸ AR P10275 1/20 0.41

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
SCHEMBL2962849 0.86 KMT2A (0.53) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049706 0.85 PTPN1 (0.45) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049701 0.84 LMNA (0.57) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049721 0.81 MAPK14 (0.49) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049711 0.80 KDM4E (0.49) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049764 0.80 PTPN1 (0.43) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049759 0.80 CYP19A1 (0.52) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049703 0.78 PTGS2 (0.59) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049776 0.78 LMNA (0.39) CYP3A4KMT2AALDH1A1MEN1MAPK1
SCHEMBL13049719 0.78 CYP19A1 (0.55) CYP3A4KMT2AALDH1A1MEN1MAPK1

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-7837981-B2 Methods for imaging soluble A-beta GENERAL ELECTRIC COMPANY (US) 2010-11-23 — — US disclosed
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