SCHEMBL11319210

SCHEMBL11319210

CNC(=S)NCCCNCc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KDM4E B2RXH2 3/20 0.50
SLC40A1 Q9NP59 3/20 0.47
POLB P06746 3/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
DDAH1 O94760 1/20 0.44

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
SCHEMBL11325940 0.93 PKM (0.56) PKMKDM4ESLC40A1POLBRAB9A
SCHEMBL11310633 0.81 HTT (0.57) PKMSLC40A1POLBHTTALDH1A1
SCHEMBL18661211 0.81 PKM (0.54) PKMKDM4ESLC40A1POLBRAB9A
SCHEMBL11317304 0.81 HTT (0.45) PKMKDM4ERAB9AHTTALDH1A1
SCHEMBL18661208 0.80 HTT (0.70) PKMKDM4ESLC40A1POLBRAB9A
SCHEMBL11346779 0.80 BCHE (0.63) PKMKDM4EPOLBRAB9AALDH1A1
SCHEMBL11363167 0.80 PKM (0.50) PKMKDM4ESLC40A1POLBRAB9A
SCHEMBL6328764 0.79 PKM (0.60) PKMSLC40A1POLBRAB9AHTT
SCHEMBL11321932 0.79 KDM4E (0.57) PKMKDM4ESLC40A1POLBRAB9A
SCHEMBL370673 0.78 PKM (0.67) PKMSLC40A1POLBRAB9AHTT

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