SCHEMBL21376598

SCHEMBL21376598

COc1cc2nc(NC(=O)c3ccc(SN(C)c4ccccc4)cc3)sc2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 11/20 0.60
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ ABL1 P00519 1/20 0.50

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
SCHEMBL663005 0.82 MAPT (0.60) SCDHTTKDM4EL3MBTL1MEN1
SCHEMBL21376926 0.82 SCD (0.74) SCDKDM4EMEN1KMT2ARXFP1
SCHEMBL21910767 0.81 SCD (0.58) SCDHTTKDM4EL3MBTL1MEN1
SCHEMBL21376791 0.79 SCD (0.64) SCDKDM4EMEN1KMT2ARXFP1
SCHEMBL21376599 0.79 SCD (0.64) SCDHTTKDM4EL3MBTL1MEN1
SCHEMBL15478801 0.77 SCD (0.62) SCDHTTKDM4EL3MBTL1MEN1
SCHEMBL16562088 0.75 SCD (1.00) SCDHTTKDM4EL3MBTL1MEN1
SCHEMBL13941605 0.71 SCD (0.55) SCDHTTKDM4EL3MBTL1MEN1
SCHEMBL4912951 0.70 SCD (1.00) SCDMEN1KMT2AMAPTNPC1
SCHEMBL13941416 0.70 KDM4E (0.53) SCDHTTKDM4EL3MBTL1MEN1

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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 — — EP disclosed
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