SCHEMBL9979600

SCHEMBL9979600

O=C1c2cccc(CBr)c2CN1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 4/20 0.42
GRM1 Q13255 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR2C P28335 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
PKM P14618 3/20 0.38
CYP3A4 P08684 2/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CBLB Q13191 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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) UGCGGRM1MEN1KMT2AHTR2C
SCHEMBL9979556 0.86 GRM1 (0.43) UGCGGRM1MEN1KMT2AHTR2C
SCHEMBL9979599 0.86 NPC1 (0.55) UGCGGRM1MEN1KMT2AHTR2C
SCHEMBL9979554 0.83 UGCG (0.43) UGCGCBLB
SCHEMBL9979474 0.80 UGCG (0.41) UGCGNPC1RAB9APKMCBLB
SCHEMBL9979649 0.75 HSP90AA1 (0.47) UGCGGRM1MEN1KMT2ANPC1
SCHEMBL9979658 0.75 UGCG (0.42) UGCGGRM1MEN1KMT2AHTR2C
SCHEMBL9979657 0.72 NPC1 (0.55) UGCGGRM1MEN1KMT2ANPC1
SCHEMBL28356711 0.71 NPC1 (0.74) GRM1MEN1KMT2ANPC1RAB9A
SCHEMBL30910321 0.71 NPC1 (0.74) GRM1MEN1KMT2ANPC1RAB9A

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