SCHEMBL9844748

SCHEMBL9844748

COC(=O)c1ccc(CCc2cn(Cc3ccccc3)c3nc(N)n(COC(C)C)c(=O)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
CFTR P13569 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK10 P53779 1/20 0.36
EP300 Q09472 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
P2RX7 Q99572 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL9844781 0.85 DRD2 (0.40) DRD2TBXA2RMAPTTHRBCFTR
SCHEMBL2072670 0.84 DRD2 (0.40) DRD2MAPTCFTRTLR7MMP13
SCHEMBL1386593 0.84 DRD2 (0.40) DRD2MAPTCFTRTLR7MMP13
SCHEMBL8997174 0.83 PDE4A (0.38) MAPTTHRBCFTRTLR7MMP13
SCHEMBL8997137 0.76 BRD4 (0.36) MAPTP2RX7
SCHEMBL9439773 0.74 BCL2L11 (0.34) THRBCFTRKDM4EALDH1A1MEN1
SCHEMBL9844763 0.70 NPC1 (0.36) DRD2MAPTTLR7KDM4EALDH1A1
SCHEMBL9844745 0.69 MAPT (0.35) MAPTTLR7KDM4EALDH1A1MEN1
SCHEMBL8997195 0.68 ATIC (0.35) MAPTTHRBTLR7EP300MEN1
SCHEMBL9844783 0.67 EP300 (0.39) MAPTTHRBEP300

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
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed