SCHEMBL14464064

SCHEMBL14464064

CN(CCCc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)C(=O)Nc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 6/20 0.51
▸ POLB P06746 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NAT1 P18440 2/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CISD1 Q9NZ45 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38

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
SCHEMBL10090318 0.87 PTP4A3 (0.53) PTP4A3POLBMAPTMEN1NPC1
SCHEMBL10090316 0.79 PTP4A3 (0.61) PTP4A3MEN1KMT2ANAT1GSK3B
SCHEMBL2067673 0.79 PTP4A3 (0.61) PTP4A3MEN1KMT2ANAT1GSK3B
SCHEMBL2066148 0.78 PTP4A3 (0.51) PTP4A3POLBMAPTMEN1NPC1
SCHEMBL10090317 0.78 PTP4A3 (0.51) PTP4A3POLBMAPTMEN1NPC1
SCHEMBL12892067 0.74 PTP4A3 (0.65) PTP4A3POLBMAPTMEN1NPC1
SCHEMBL10090186 0.73 PTP4A3 (0.57) PTP4A3MAPTMEN1KMT2ANPSR1
SCHEMBL2065103 0.73 PTP4A3 (0.57) PTP4A3MAPTMEN1KMT2ANPSR1
SCHEMBL14464062 0.70 PTP4A3 (0.64) PTP4A3POLBMAPTMEN1KMT2A
SCHEMBL2065355 0.70 PTP4A3 (0.61) PTP4A3GSK3BCISD1

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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