SCHEMBL6986039

SCHEMBL6986039

Cc1ccc2c(C3=NCCc4ccccc43)c(C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NOS3 P29474 2/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 3/20 0.41
PKM P14618 1/20 0.36
RAD52 P43351 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK10 P53779 2/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM2 Q14416 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 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
SCHEMBL6983448 0.88 MAOA (0.39) GAANOS3NOS2KDM4EALDH1A1
SCHEMBL6983460 0.88 MAOA (0.39) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL6983307 0.87 NOS3 (0.45) NOS3NOS2KDM4EALDH1A1MAOA
SCHEMBL6986806 0.81 MAOA (0.40) GAANOS3NOS2MAOAPKM
SCHEMBL6986057 0.81 MAOA (0.40) NOS3NOS2MAOAPKMRAD52
SCHEMBL6986780 0.79 MAOA (0.40) GAANOS3NOS2KDM4EALDH1A1
SCHEMBL6986047 0.77 MAOA (0.43) NOS3NOS2KDM4ELMNAMAOA
SCHEMBL6986330 0.74 NOS3 (0.41) NOS3NOS2KDM4EALDH1A1LMNA
SCHEMBL6986316 0.74 MAOA (0.43) GAANOS3NOS2KDM4EALDH1A1
SCHEMBL6987417 0.73 MAPT (0.54) NOS3NOS2ALDH1A1LMNAMAOA

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-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed