SCHEMBL11507802

SCHEMBL11507802

Cc1nn(C(C)c2ccc(Cl)c(Cl)c2)c(OC(=O)c2cnccc2Cl)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 6/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ OGA O60502 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ EGLN1 Q9GZT9 2/20 0.33
▸ KLRK1 P26718 1/20 0.33
▸ MICA Q29983 1/20 0.33
▸ RAET1L Q5VY80 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ GPR139 Q6DWJ6 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
SCHEMBL11559647 0.91 GPR139 (0.34) AKT1CDK2MAPTMAP3K14PTGDR2
SCHEMBL11508328 0.86 OGA (0.35) AKT1CDK2OGAMAPTMAP3K14
SCHEMBL11509135 0.82 KMT2A (0.41) MAPTPTGDR2GPR139
SCHEMBL11507679 0.82 PTGDR2 (0.41) MAP3K14PTGDR2EGLN1PTGS1GPR139
SCHEMBL11508181 0.82 PTGDR2 (0.38) OGAMAP3K14PTGDR2EGLN1PTGS1
SCHEMBL11507201 0.81 PTGS1 (0.36) OGAMAPTMAP3K14PTGDR2EGLN1
SCHEMBL11509656 0.79 PTGDR2 (0.33) OGAPTGDR2EGLN1PTGS1GPR139
SCHEMBL11509760 0.78 GPR139 (0.34) OGAPTGDR2PTGS1GPR139
SCHEMBL11507240 0.78 PDE2A (0.37) MAP3K14PTGDR2EGLN1PTGS1
SCHEMBL11508501 0.78 S1PR1 (0.38) MAPTPTGDR2

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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