SCHEMBL11318972

SCHEMBL11318972

CNC(=S)NCCOCc1ncccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PKM P14618 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 1/20 0.39
MTNR1B P49286 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
QPCT Q16769 1/20 0.36
MTNR1A P48039 1/20 0.36
HRH2 P25021 2/20 0.35
ALOX12 P18054 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL11310117 0.82 HRH2 (0.39) POLBPKMCACNA1BAPBA1ALDH1A1
SCHEMBL11328857 0.77 HRH2 (0.37) POLBPKMCACNA1BAPBA1ALDH1A1
SCHEMBL11324974 0.76 ALDH1A1 (0.38) POLBPKMCACNA1BAPBA1ALDH1A1
SCHEMBL11327163 0.74 QPCT (0.38) POLBPKMCACNA1BAPBA1ALDH1A1
SCHEMBL11105143 0.74 HRH2 (0.37) POLBPKMCACNA1BAPBA1ALDH1A1
SCHEMBL11319152 0.73 LMNA (0.34) POLBPKMCACNA1BAPBA1ALDH1A1
SCHEMBL11314656 0.72 QPCT (0.42) ALDH1A1L3MBTL1MTNR1BKDM4EHTT
SCHEMBL11323485 0.72 SMN1; SMN2 (0.41) ALDH1A1LMNAMTNR1BHTTSMN1; SMN2
SCHEMBL11315249 0.72 HTT (0.47) PKMALDH1A1LMNARAB9AKDM4E
SCHEMBL11318824 0.72 LMNA (0.38) POLBPKMCACNA1BAPBA1ALDH1A1

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-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-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed