SCHEMBL7401847

SCHEMBL7401847

COC(=S)Cc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HRH3 Q9Y5N1 5/20 0.48
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7400645 0.89 MEN1 (0.52) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL7401271 0.86 POLB (0.50) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL7397858 0.83 ITGB3 (0.53) MEN1KMT2AHRH3POLBALDH1A1
Hydrochloric Acid SCHEMBL9023756 0.82 ITGB3 (0.52) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL7401267 0.82 POLB (0.48) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL9080516 0.82 MEN1 (0.50) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL7404732 0.82 HRH3 (0.51) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL7401844 0.82 HRH3 (0.50) MEN1KMT2AHRH3POLBALDH1A1
Water SCHEMBL27462629 0.80 POLB (0.54) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL9079921 0.78 MEN1 (0.50) MEN1KMT2AHRH3POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed