SCHEMBL9979556

SCHEMBL9979556

O=C1c2cccc(CO)c2CN1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.43
UGCG Q16739 2/20 0.42
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
USP2 O75604 1/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HTR2C P28335 2/20 0.39
PKM P14618 2/20 0.38
CBLB Q13191 3/20 0.38
CYP3A4 P08684 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9979658 0.86 UGCG (0.42) GRM1UGCGMEN1KMT2ARAB9A
SCHEMBL9979657 0.86 NPC1 (0.55) GRM1UGCGMEN1KMT2ARAB9A
SCHEMBL9979600 0.86 UGCG (0.42) GRM1UGCGMEN1KMT2ARAB9A
SCHEMBL9979557 0.83 UGCG (0.45) UGCGFPR1FPR2CBLB
SCHEMBL9979552 0.80 UGCG (0.41) UGCGRAB9ANPC1PKMCBLB
SCHEMBL9979649 0.78 HSP90AA1 (0.47) GRM1UGCGMEN1KMT2ARAB9A
SCHEMBL9979630 0.74 SLC6A4 (0.50) GRM1UGCGRAB9ANPC1HTR2C
SCHEMBL9979484 0.73 UGCG (0.43) GRM1UGCGMEN1KMT2ARAB9A
SCHEMBL9979599 0.72 NPC1 (0.55) GRM1UGCGMEN1KMT2ARAB9A
SCHEMBL10085860 0.72 TP53 (0.61) GRM1UGCGMEN1KMT2ARAB9A

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