SCHEMBL6275007

SCHEMBL6275007

COc1cccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.66
▸ KMT2A Q03164 10/20 0.66
▸ MAPT P10636 9/20 0.66
▸ RECQL P46063 3/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ MAPK1 P28482 3/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ POLB P06746 7/20 0.62
▸ GAA P10253 2/20 0.62
▸ DUSP22 Q9NRW4 2/20 0.54
▸ MAP3K5 Q99683 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ ALOX12 P18054 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ RAB9A P51151 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ CFTR P13569 1/20 0.47

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
SCHEMBL3908215 1.00 MEN1 (0.66) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3908212 1.00 MEN1 (0.66) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3892547 0.83 MEN1 (0.71) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3892542 0.83 MEN1 (0.71) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3895721 0.83 CFTR (0.63) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3895716 0.83 CFTR (0.63) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3890772 0.82 KMT2A (0.64) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3890778 0.82 KMT2A (0.64) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3897777 0.78 MEN1 (0.65) MEN1KMT2AMAPTRECQLKDM4E
SCHEMBL3897872 0.78 MAPT (0.65) MEN1KMT2AMAPTRECQLKDM4E

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
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO claimed
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