SCHEMBL11058841

SCHEMBL11058841

NCS(=O)(=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
NFKB1 P19838 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL323522 0.80 KDM4E (0.50) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL894516 0.80 KDM4E (0.50) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL22123202 0.79 KDM4E (0.41) KDM4EKMT2AMAPTUSP2ALDH1A1
Hydrochloric Acid SCHEMBL999646 0.78 KDM4E (0.48) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL3598094 0.76 KDM4E (0.46) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL5464811 0.76 KDM4E (0.46) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL5989668 0.76 KDM4E (0.46) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL5464814 0.76 KDM4E (0.46) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL243962 0.74 KDM4E (0.54) KDM4EKMT2AMAPTUSP2ALDH1A1
SCHEMBL17556147 0.73 KDM4E (0.43) KDM4EKMT2AMAPTUSP2ALDH1A1

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-4452797-A FOR CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
EP-0023343-B1 SUBSTITUTED 3-AMINO-SYDNONIMINES, PROCESS FOR THEIR SYNTHESIS AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CASSELLA Aktiengesellschaft (DE) 1984-03-28 EP disclosed
US-4332801-A HYPOTENSIVE; CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-4305939-A HYPOTENSIVE CASSELLA AG (DE) 1981-12-15 US disclosed
EP-0023343-A2 Substituted 3-amino-sydnonimines, process for their synthesis and pharmaceutical preparations containing them CASSELLA Aktiengesellschaft (DE) 1981-02-04 EP disclosed