SCHEMBL11314904

SCHEMBL11314904

CNC(=S)NCCNCc1cc(CNCCNC(=S)NC)sn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
HRH2 P25021 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.31
QPCT Q16769 1/20 0.31
PHGDH O43175 1/20 0.31
MTNR1B P49286 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
SCHEMBL11324971 0.84 HRH2 (0.32) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11321643 0.76 LMNA (0.36) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11310629 0.75 LMNA (0.39) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11315544 0.74 KDM4E (0.40) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11314776 0.74 HRH2 (0.40) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11311681 0.74 HRH2 (0.37) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11325015 0.73 LMNA (0.32) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11699107 0.73 NPSR1 (0.45) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11321367 0.72 KDM4C (0.34) LMNAHRH2HRH4HRH3KDM4E
SCHEMBL11329927 0.72 LMNA (0.36) LMNAHRH2HRH4HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed