SCHEMBL13687351

SCHEMBL13687351

CCc1nnc2ccc(Cl)cn12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPK14 Q16539 2/20 0.46
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
MAP3K14 Q99558 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PABPC1 P11940 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL18370275 0.81 POLB (0.38) POLBALDH1A1GAAKDM4ENPC1
SCHEMBL18369628 0.81 POLB (0.38) POLBALDH1A1GAAPIK3CDPIK3R1
SCHEMBL24616716 0.81 SLC2A1 (0.43) POLBALDH1A1GAAKDM4ETP53
Bromide SCHEMBL23088025 0.80 POLB (0.37) POLBALDH1A1GAAPIK3CDPIK3R1
SCHEMBL16686975 0.79 MAPK14 (0.47) POLBMAPK14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13687352 0.78 MAPK14 (0.58) POLBMAPK14ALDH1A1KDM4E
SCHEMBL11163453 0.77 MAPK14 (0.52) POLBMAPK14CYP1A2CYP2C9CYP2C19
SCHEMBL13687333 0.75 SCN5A (0.47) POLBMAPK14SMN1; SMN2
SCHEMBL12510331 0.75 CCNC (0.45) POLBMAPK14ALDH1A1GAAPIK3CD
SCHEMBL27455823 0.75 PIM1 (0.55) POLBMAPK14ALDH1A1GAAPIK3CD

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-7592354-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed