SCHEMBL7712898

SCHEMBL7712898

Cc1cc(Cl)cc2c1nc(C)n2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
GALR3 O60755 2/20 0.50
NR2F2 P24468 2/20 0.50
RAB9A P51151 1/20 0.50
DCTPP1 Q9H773 5/20 0.48
TNF P01375 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
SOS1 Q07889 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL7130975 0.83 DCTPP1 (0.51) PDE10ADCTPP1
SCHEMBL6492577 0.76 DCTPP1 (0.41) PDE10AGALR3NR2F2RAB9ADCTPP1
SCHEMBL6498493 0.75 DCTPP1 (0.40) PDE10AGALR3NR2F2RAB9ADCTPP1
SCHEMBL10443033 0.75 TNF (0.51) PDE10AGALR3NR2F2RAB9ADCTPP1
SCHEMBL6486764 0.73 DCTPP1 (0.44) DCTPP1
SCHEMBL6170123 0.72 TNF (0.58) GALR3NR2F2RAB9ADCTPP1TNF
SCHEMBL23579650 0.71 TNF (0.50) PDE10AGALR3NR2F2RAB9ADCTPP1
SCHEMBL6172987 0.71 SPHK1 (0.59) GALR3NR2F2RAB9ADCTPP1TNF
SCHEMBL6923116 0.70 DCTPP1 (0.36) PDE10ADCTPP1TNFALDH1A1MAPK1
SCHEMBL13714558 0.69 KDM4E (0.62) GALR3NR2F2RAB9ATNFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369092-B1 Method for treating neoplasia by exposure to substituted benzimidazole derivatives CELL PATHWAYS, INC. 2002-04-09 US disclosed