SCHEMBL11314513

SCHEMBL11314513

CNC(=S)NCCCSCc1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 6/20 0.37
HTT P42858 3/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
QPCT Q16769 1/20 0.35
MAPT P10636 5/20 0.34
ALOX12 P18054 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MTNR1B P49286 2/20 0.33
MTNR1A P48039 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 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
SCHEMBL11819562 0.92 MAPT (0.40) HRH2HRH4HRH3LMNAHTT
SCHEMBL10858680 0.85 MAPT (0.38) LMNAHTTRECQLMAPTALOX12
SCHEMBL11326415 0.82 HRH2 (0.40) HRH2HRH4HRH3LMNAKDM4E
SCHEMBL11311218 0.80 LMNA (0.40) HRH2HRH4HRH3LMNAHTT
SCHEMBL11325084 0.79 LMNA (0.39) HRH2HRH4HRH3LMNAHTT
SCHEMBL11660873 0.77 HRH4 (0.41) HRH2HRH4HRH3LMNAHTT
SCHEMBL11323741 0.77 LMNA (0.36) HRH2HRH4HRH3LMNAHTT
SCHEMBL11323700 0.76 LMNA (0.40) LMNAHTTKDM4EMAPTALOX12
SCHEMBL11318824 0.75 LMNA (0.38) HRH2HRH4HRH3LMNAKDM4E
SCHEMBL11310096 0.75 ACHE (0.40) LMNAHTTKDM4EMAPTALDH1A1

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
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-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 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