SCHEMBL7344776

SCHEMBL7344776

[CH]1CSCc2ccccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.39
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
HKDC1 Q2TB90 1/20 0.32

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
SCHEMBL19677 0.70
SCHEMBL4505185 0.70 ALOX15 (0.43) PLAUNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL449770 0.70 PLAU (0.42) PLAUNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30271877 0.70 ALOX15 (0.43) PLAUNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL20477944 0.67 NPC1 (0.43) PLAUNPC1RAB9AMAPTMEN1
SCHEMBL3617984 0.67 MEN1 (0.47) PLAUNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL121521 0.66
SCHEMBL29965099 0.66
SCHEMBL7332054 0.66
SCHEMBL1762488 0.65 AHR (0.59) NPC1RAB9ASMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP claimed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed