SCHEMBL8384228

SCHEMBL8384228

COc1cccnc1CSCCN=C(N)N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.49
LMNA P02545 1/20 0.43
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 0.36
ADORA2A P29274 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL8355672 0.89 LMNA (0.44) PLAULMNARAB9AL3MBTL1NPC1
SCHEMBL11158296 0.88 PLAU (0.43) PLAULMNARAB9AL3MBTL1TDP1
SCHEMBL11096324 0.87 PLAU (0.42) PLAURAB9AL3MBTL1TDP1NPC1
Hydrochloric Acid SCHEMBL11217448 0.86 PLAU (0.41) PLAULMNARAB9AL3MBTL1TDP1
SCHEMBL8355557 0.84 PLAU (0.46) PLAULMNAL3MBTL1ADORA2AMAPT
SCHEMBL11181834 0.84 HRH2 (0.40) PLAULMNAADORA2AMAPT
Hydrochloric Acid SCHEMBL11191536 0.83 HRH2 (0.40) PLAULMNAADORA2AMAPT
SCHEMBL11096144 0.83 HTR1A (0.39) PLAULMNARAB9AL3MBTL1ADORA2A
SCHEMBL8351885 0.83 ALDH1A1 (0.45) PLAULMNAL3MBTL1ALDH1A1HSD17B10
SCHEMBL8355716 0.82 LMNA (0.44) PLAULMNATDP1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908853-A THERAPY FOR SEXUAL DISORDERS Nahoum, Cesar Roberto Dias (BR) 1999-06-01 US disclosed
US-5773457-A Compositions Nahoum, Cesar Roberto Dias (BR) 1998-06-30 US disclosed