SCHEMBL11611423

SCHEMBL11611423

Cc1cc(OC(=O)c2cccc(F)n2)n(Cc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ CCR2 P41597 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TP53 P04637 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
SCHEMBL11602560 0.81 RAB9A (0.45) RAB9AGAASMN1; SMN2KMT2AALOX15
SCHEMBL11616970 0.79 PTGDR2 (0.45) RAB9AGAASMN1; SMN2KMT2AALOX15
SCHEMBL11618584 0.78 RAB9A (0.42) RAB9AGAASMN1; SMN2KMT2AMAPT
SCHEMBL11613326 0.77 GAA (0.43) RAB9AGAASMN1; SMN2KMT2AMAPT
SCHEMBL11609351 0.77 PTGDR2 (0.44) RAB9AGAASMN1; SMN2KMT2AMAPT
SCHEMBL11616942 0.77 RAB9A (0.43) RAB9AGAASMN1; SMN2KMT2AMAPT
SCHEMBL11509078 0.77 GRM4 (0.38) GRM4ALDH1A1
SCHEMBL11619002 0.77 GAA (0.47) RAB9AGAAKMT2AALOX15MAPT
SCHEMBL11614081 0.76 RAB9A (0.43) RAB9AGAASMN1; SMN2KMT2AMAPT
SCHEMBL11611117 0.76 PTGDR2 (0.42) RAB9AGAASMN1; SMN2KMT2AALOX15

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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