SCHEMBL11317784

SCHEMBL11317784

CNC(=S)NCCNCc1ccc(Cl)nn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH2 P25021 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HTT P42858 1/20 0.32
QPCT Q16769 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
PHGDH O43175 1/20 0.31

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
SCHEMBL11311382 0.84 LMNA (0.36) LMNAKDM4EHRH2HRH4HRH3
SCHEMBL11314821 0.83 LMNA (0.35) LMNAKDM4EHRH2HRH4HRH3
SCHEMBL7992679 0.80 ALDH1A1 (0.44) ALDH1A1HRH3
SCHEMBL11323729 0.78 MAPT (0.40) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11362812 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11329962 0.77 CYP2C9 (0.38) LMNAKDM4EHRH2HRH4HRH3
SCHEMBL11699107 0.76 NPSR1 (0.45) LMNAKDM4EHRH2HRH4HRH3
SCHEMBL11699222 0.75 PHGDH (0.38) ALDH1A1LMNAKDM4EHRH2HRH4
SCHEMBL11397022 0.75 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL7992485 0.75 ALDH1A1 (0.42) ALDH1A1KMT2A

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