SCHEMBL2487977

SCHEMBL2487977

COC(=O)Cc1cnc(Cc2ccccc2OCc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CARM1 Q86X55 2/20 0.43
PRMT1 Q99873 2/20 0.43
SLC1A5 Q15758 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.40
PTGER1 P34995 2/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL1369152 0.89 PTGDR2 (0.51) MAPTGAATP53POLBTHRB
SCHEMBL2485943 0.81 SLC1A5 (0.44) MAPTGAATP53POLBTHRB
SCHEMBL13264273 0.80 SLC1A5 (0.44) MAPTSMN1; SMN2CARM1PRMT1SLC1A5
SCHEMBL1369734 0.80 SLC1A5 (0.49) MAPTGAATP53POLBTHRB
SCHEMBL1367426 0.75 SMN1; SMN2 (0.41) MAPTSMN1; SMN2PTGDR2NPC1RAB9A
SCHEMBL31757763 0.73 L3MBTL1 (0.56) MAPTGAATP53THRBKMT2A
SCHEMBL2988197 0.73 L3MBTL1 (0.56) MAPTGAATP53THRBKMT2A
SCHEMBL2487974 0.73 SLC1A5 (0.42) MAPTGAATP53POLBTHRB
SCHEMBL2485285 0.73 PTGDR2 (0.65) PTGDR2
SCHEMBL14859529 0.72 DPP4 (0.42) GAASMN1; SMN2ALDH1A1RAB9ACYP1A2

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-2377851-A1 ISOQUINOLINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2011-10-19 EP disclosed