SCHEMBL9251002

SCHEMBL9251002

NCCOCCOc1cccc(-c2ccsc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A3 P48764 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
KDR P35968 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2B6 P20813 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.37
BCHE P06276 1/20 0.37
CNR2 P34972 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
SYK P43405 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL14642800 0.91 TAAR1 (0.46) PRMT6KDRRPS6KA3CYP2A6CYP2E1
SCHEMBL4901701 0.87 PRMT6 (0.43) PRMT6KDRCYP2A6CYP2E1CYP2B6
SCHEMBL9169905 0.86 TSHR (0.42) PRMT6KDRCYP2A6CYP2E1CYP2B6
SCHEMBL9255273 0.86 PRMT6 (0.40) PRMT6KDRCYP2A6CYP2E1CYP2B6
SCHEMBL9259837 0.85 PRMT6 (0.40) PRMT6KDRCYP2A6CYP2E1CYP2B6
SCHEMBL9259584 0.84 LTB4R (0.43) PRMT6KDRCYP2A6CYP2E1CYP2B6
SCHEMBL9255428 0.82 TSHR (0.45) PRMT6KDRPDGFRBPDGFRAKDM4E
SCHEMBL9174629 0.81 PRMT6 (0.39) PRMT6KDRCYP2A6CYP2E1CYP2B6
SCHEMBL9257607 0.81 ALDH1A1 (0.47) PRMT6KDRCYP2A6CYP2E1CYP2B6
SCHEMBL9251814 0.81 TSHR (0.46) PRMT6KDRKDM4EMAPK1HTR1A

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 3 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
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed