SCHEMBL9979658

SCHEMBL9979658

O=C1c2cccc(CO)c2CN1c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.42
GRM1 Q13255 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
PKM P14618 3/20 0.38
CBLB Q13191 4/20 0.38
CASP3 P42574 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 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
SCHEMBL9979484 0.87 UGCG (0.43) UGCGGRM1NPC1RAB9APKM
SCHEMBL9979657 0.86 NPC1 (0.55) UGCGGRM1NPC1RAB9APKM
SCHEMBL9979556 0.86 GRM1 (0.43) UGCGGRM1NPC1RAB9APKM
SCHEMBL9979557 0.83 UGCG (0.45) UGCGCBLB
SCHEMBL9979552 0.80 UGCG (0.41) UGCGNPC1RAB9APKMCBLB
SCHEMBL9979473 0.78 UGCG (0.45) UGCGGRM1NPC1RAB9APKM
SCHEMBL9979599 0.75 NPC1 (0.55) UGCGGRM1NPC1RAB9APKM
SCHEMBL9979600 0.75 UGCG (0.42) UGCGGRM1NPC1RAB9APKM
SCHEMBL9979481 0.74 SLC6A3 (0.49) UGCGGRM1NPC1RAB9APKM
SCHEMBL9979554 0.72 UGCG (0.43) UGCGCBLB

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed