SCHEMBL11652829

SCHEMBL11652829

Cc1ccc(-c2nc(-c3ccccc3)c(N)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
RARA P10276 2/20 0.50
RARB P10826 2/20 0.50
RARG P13631 2/20 0.50
ADORA2A P29274 3/20 0.49
ADORA1 P30542 2/20 0.49
SREBF2 Q12772 1/20 0.49
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ADORA3 P0DMS8 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL543631 0.89 ALDH1A1 (0.50) RARARARBRARGADORA2AADORA1
SCHEMBL14148757 0.83 PTGDR2 (0.57) ALOX5RARARARBRARGADORA2A
SCHEMBL14148598 0.83 KDM4E (0.57) TDP1RARARARBRARGADORA2A
SCHEMBL11452930 0.83 RARA (0.69) ALOX5TDP1RARARARBRARG
SCHEMBL14148755 0.83 PTGDR2 (0.60) ALOX5TDP1ADORA2AADORA1KDM4E
SCHEMBL14148648 0.83 PTGDR2 (0.60) ALOX5TDP1ADORA2AADORA1KDM4E
SCHEMBL12245630 0.81 ALOX5 (0.69) ALOX5TDP1RARARARBRARG
SCHEMBL544858 0.81 CDC7 (0.61) ADORA2AADORA1KDM4ESMN1; SMN2MAPT
SCHEMBL15717100 0.81 ADORA1 (0.43) TDP1RARARARBRARGADORA2A
SCHEMBL14148616 0.80 DPP4 (0.50) ADORA2AADORA1DPP4ALDH1A1PTGDR2

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-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US disclosed