SCHEMBL5325241

SCHEMBL5325241

N#Cc1cc(Cl)cc(C(=O)c2cc(Cl)ccc2OCC(=O)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.52
▸ PTGDR2 Q9Y5Y4 5/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ KCNH2 Q12809 4/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TP53 P04637 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
SCHEMBL5325030 0.91 PTGDR2 (0.57) SLC2A1PTGDR2MRGPRX4AKR1B1MAPT
SCHEMBL14419541 0.87 PTGDR2 (0.56) SLC2A1PTGDR2MRGPRX4KCNH2CYP2C9
SCHEMBL14201809 0.83 POLB (0.52) SLC2A1MRGPRX4MAPT
SCHEMBL14397344 0.81 PTGDR2 (0.44) PTGDR2MAPTTDP1TSHRTP53
SCHEMBL14419689 0.81 PTGDR2 (0.54) SLC2A1PTGDR2MRGPRX4AKR1B1MAPT
SCHEMBL12328443 0.81 PTGDR2 (0.54) SLC2A1PTGDR2MRGPRX4AKR1B1MAPT
SCHEMBL6931984 0.78 SLC2A1 (0.65) SLC2A1KCNH2MAPTCYP2C9TP53
SCHEMBL5627237 0.78 PTGDR2 (0.57) PTGDR2MAPTTDP1CYP2C9TP53
SCHEMBL14419687 0.78 SLC2A1 (0.46) SLC2A1PTGDR2MRGPRX4KCNH2MAPT
SCHEMBL4581330 0.78 SLC2A1 (0.48) SLC2A1PTGDR2MRGPRX4KCNH2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007121415-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — WO disclosed
WO-2007121418-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — WO disclosed
WO-2007121416-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 — — WO disclosed
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