SCHEMBL11096324

SCHEMBL11096324

CNC(N)=NCCSCc1ncccc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
ADORA2A P29274 1/20 0.36
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8384228 0.87 PLAU (0.49) PLAUADORA2ARAB9AL3MBTL1TDP1
SCHEMBL11181834 0.87 HRH2 (0.40) PLAUSCN5ASCN2AADORA2AMAPT
SCHEMBL11096144 0.86 HTR1A (0.39) PLAUSCN5ASCN2AADORA2ARAB9A
Hydrochloric Acid SCHEMBL11191536 0.86 HRH2 (0.40) PLAUSCN5ASCN2AADORA2AMAPT
SCHEMBL11093891 0.84 PLAU (0.35) PLAUADORA2ARAB9AL3MBTL1MAPT
SCHEMBL11093888 0.84 PLAU (0.35) PLAUADORA2ARAB9AL3MBTL1MAPT
SCHEMBL11158296 0.84 PLAU (0.43) PLAUADORA2ARAB9AL3MBTL1TDP1
Hydrochloric Acid SCHEMBL11090431 0.83 PLAU (0.35) PLAUADORA2ARAB9AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL11090433 0.83 PLAU (0.35) PLAUADORA2ARAB9AL3MBTL1MAPT
SCHEMBL11385886 0.82 HRH2 (0.33) PLAUADORA2ARAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426526-A HISTAMINE ANTAGONISTS, ANTIINFLAMMATORY, ANTISECRETORY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-01-17 US disclosed
US-4264608-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-04-28 US disclosed
US-4215126-A HISTAMINE H2 BLOCKING SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-29 US disclosed
US-4156727-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-29 US disclosed
US-4154838-A ANTIHISTAMINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed