SCHEMBL11508328

SCHEMBL11508328

Cc1cc(OC(=O)c2cnccc2Cl)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ KLRK1 P26718 1/20 0.34
▸ MICA Q29983 1/20 0.34
▸ RAET1L Q5VY80 1/20 0.34
▸ AKT1 P31749 4/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAP3K14 Q99558 1/20 0.32

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
SCHEMBL11509278 0.89 GPR139 (0.36) MAPTKMT2AGPR139NPSR1
SCHEMBL11509267 0.87 KDM4E (0.40) MAPTEGLN1AKT1KMT2AMAP3K14
SCHEMBL11507802 0.86 AKT1 (0.34) OGAMAPTEGLN1KLRK1MICA
SCHEMBL11507210 0.84 POLB (0.44) MAPTKMT2AGPR139
SCHEMBL11507489 0.84 KMT2A (0.45) KMT2AGPR139
SCHEMBL11510067 0.82 S1PR4 (0.40) MAPTEGLN1S1PR1S1PR3
SCHEMBL11509784 0.82 PTGS1 (0.38) OGAEGLN1PTGS1GPR139MAP3K14
SCHEMBL11507137 0.81 PTGS1 (0.37) OGAMAPTEGLN1PTGS1KMT2A
SCHEMBL11507587 0.80 POLB (0.39) MAPTEGLN1S1PR1S1PR3
SCHEMBL11510661 0.80 SLC6A3 (0.38) MAPTEGLN1PTGS1GPR139MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160098-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1979-07-03 — — US disclosed
US-4122281-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122280-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4122279-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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