SCHEMBL9254826

SCHEMBL9254826

O=C(O)/C=C/c1cccc(-c2ccsc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
PIM2 Q9P1W9 6/20 0.50
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
TNKS O95271 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2B6 P20813 1/20 0.46
PIM1 P11309 1/20 0.45

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
SCHEMBL9254831 1.00 NPSR1 (0.51) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL9454454 0.87 CNR1 (0.45) PIM2HDAC2HDAC8CYP2E1CYP2A6
SCHEMBL9257846 0.87 GLA (0.49) PIM2HDAC2HDAC8CYP2E1CYP2A6
SCHEMBL9257850 0.87 GLA (0.49) PIM2HDAC2HDAC8CYP2E1CYP2A6
SCHEMBL9454450 0.87 CNR1 (0.45) PIM2HDAC2HDAC8CYP2E1CYP2A6
SCHEMBL414597 0.82 HDAC2 (0.67) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL414598 0.82 HDAC2 (0.67) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL30584137 0.82 HDAC2 (0.67) NPSR1PIM2HDAC2HDAC8HDAC3
SCHEMBL5457564 0.81 ESR1 (0.52) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL30584129 0.78 PIM2 (0.63) NPSR1PIM2HDAC2HDAC8HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed