SCHEMBL11616970

SCHEMBL11616970

Cc1cc(OC(=O)c2ncccc2F)n(Cc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.45
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ CCR2 P41597 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL11602560 0.81 RAB9A (0.45) PTGDR2KMT2AMEN1GAARAB9A
SCHEMBL11611423 0.79 RAB9A (0.39) PTGDR2KMT2AMEN1GAARAB9A
SCHEMBL11618584 0.79 RAB9A (0.42) PTGDR2KMT2AGAARAB9ANPSR1
SCHEMBL11611117 0.79 PTGDR2 (0.42) PTGDR2KMT2AGAARAB9ANPSR1
SCHEMBL11511756 0.78 GPR139 (0.38) PTGDR2MAPTHTT
SCHEMBL11616942 0.77 RAB9A (0.43) PTGDR2KMT2AGAARAB9ANPSR1
SCHEMBL11609351 0.77 PTGDR2 (0.44) PTGDR2KMT2AGAARAB9ANPSR1
SCHEMBL11613326 0.77 GAA (0.43) PTGDR2KMT2AGAARAB9ANPSR1
SCHEMBL11619002 0.76 GAA (0.47) PTGDR2KMT2AMEN1GAARAB9A
SCHEMBL11614081 0.76 RAB9A (0.43) PTGDR2KMT2AGAARAB9ANPSR1

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
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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