SCHEMBL8355672

SCHEMBL8355672

CCOc1cccnc1CSCCN=C(N)N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PLAU P00749 2/20 0.40
ADORA2B P29275 1/20 0.36
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTR7 P34969 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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 0.89 PLAU (0.49) LMNAPLAUALDH1A1HTTNPC1
SCHEMBL8355716 0.83 LMNA (0.44) LMNAPLAU
SCHEMBL8355557 0.82 PLAU (0.46) LMNAPLAUL3MBTL1
SCHEMBL8351885 0.81 ALDH1A1 (0.45) LMNAPLAUALDH1A1L3MBTL1
SCHEMBL10958740 0.80 L3MBTL1 (0.42) LMNAGRM5ALDH1A1MEN1HTT
SCHEMBL8355749 0.80 HTR3A (0.42) LMNAPLAUMEN1KMT2A
SCHEMBL8356051 0.80 LMNA (0.38) LMNAPLAU
SCHEMBL11089115 0.78 ALDH1A1 (0.36) LMNAGRM5ALDH1A1MEN1KMT2A
SCHEMBL11083931 0.78 BCHE (0.39) LMNAGRM5MEN1KMT2A
SCHEMBL11083937 0.78 BCHE (0.39) LMNAGRM5MEN1KMT2A

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-5952361-A Compositions DIAS NAHOUM CESAR ROBERTO (US) 1999-09-14 US disclosed
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