SCHEMBL14464141

SCHEMBL14464141

C=Cc1ccc(C)c(/C=C2\SC(=S)NC2=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 6/20 0.63
▸ MEN1 O00255 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ PSMD14 O00487 2/20 0.54
▸ MMP2 P08253 2/20 0.54
▸ RECQL P46063 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ ALPL P05186 1/20 0.54
▸ ALPI P09923 1/20 0.54
▸ ALPG P10696 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL14464046 0.81 PTP4A3 (0.71) NAT1MEN1POLBMAPTKMT2A
SCHEMBL14899471 0.81 PTP4A3 (0.75) NAT1MEN1POLBMAPTKMT2A
SCHEMBL24253263 0.80 NAT1 (0.68) NAT1MEN1POLBMAPTKMT2A
SCHEMBL4803625 0.79 CA2 (0.73) NAT1MEN1POLBMAPTKMT2A
SCHEMBL4803620 0.79 CA2 (0.73) NAT1MEN1POLBMAPTKMT2A
SCHEMBL9573277 0.77 NAT1 (1.00) NAT1MEN1POLBMAPTKMT2A
SCHEMBL9573270 0.77 NAT1 (1.00) NAT1MEN1POLBMAPTKMT2A
SCHEMBL14899561 0.76 MYC (0.77) NAT1MEN1POLBMAPTKMT2A
SCHEMBL14226382 0.75 NAT1 (0.69) NAT1MEN1POLBMAPTKMT2A
SCHEMBL8167434 0.74 PIM1 (0.75) NAT1NPC1MYCMAXCISD1

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-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 — — WO disclosed
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