SCHEMBL11158296

SCHEMBL11158296

COc1cccnc1CSCCN=C(N)SC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.43
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
NPC1 O15118 3/20 0.34
ADORA2A P29274 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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 0.88 PLAU (0.49) PLAUALDH1A1MAPTHTTRAB9A
SCHEMBL11163585 0.85 NOS3 (0.31) PLAUNOS3NOS1NOS2LMNA
SCHEMBL11096324 0.84 PLAU (0.42) PLAUALDH1A1MAPTHTTRAB9A
Hydrochloric Acid SCHEMBL11217448 0.82 PLAU (0.41) PLAUALDH1A1MAPTHTTRAB9A
Hydrochloric Acid SCHEMBL11090433 0.81 PLAU (0.35) PLAUMAPTRAB9AL3MBTL1ADORA2A
Hydrochloric Acid SCHEMBL11090431 0.81 PLAU (0.35) PLAUMAPTRAB9AL3MBTL1ADORA2A
SCHEMBL11181834 0.81 HRH2 (0.40) PLAUMAPTADORA2ALMNA
Hydrochloric Acid SCHEMBL11191536 0.80 HRH2 (0.40) PLAUMAPTADORA2ALMNA
SCHEMBL11096144 0.80 HTR1A (0.39) PLAURAB9AL3MBTL1ADORA2ATSHR
SCHEMBL11091903 0.79 HTR1A (0.39) PLAUALDH1A1RAB9AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4372963-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-02-08 US disclosed
US-4285952-A Pyridyl, thiazolyl and isothiazolyl alkyl bisamidines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-08-25 US disclosed
US-4212875-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-15 US disclosed