SCHEMBL11507679

SCHEMBL11507679

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ SLC6A3 Q01959 4/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ GPR139 Q6DWJ6 2/20 0.35
▸ GCGR P47871 1/20 0.35
▸ CYP26A1 O43174 1/20 0.35
▸ MAP3K14 Q99558 2/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34

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
SCHEMBL11508181 0.88 PTGDR2 (0.38) PTGDR2SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL11454347 0.86 MAP3K14 (0.41) PTGDR2SMN1; SMN2GPR139GCGRCYP26A1
SCHEMBL11507240 0.84 PDE2A (0.37) PTGDR2SLC6A3ALDH1A1LMNAHTT
SCHEMBL11507274 0.82 SLC6A3 (0.38) PTGDR2SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL11507201 0.82 PTGS1 (0.36) PTGDR2SLC6A3ALDH1A1LMNAHTT
SCHEMBL11507802 0.82 AKT1 (0.34) PTGDR2PTGS1GPR139MAP3K14EGLN1
SCHEMBL11509039 0.80 GPR139 (0.37) SLC6A3SLC6A2SLC6A4LMNAGPR139
SCHEMBL11509135 0.80 KMT2A (0.41) PTGDR2ALDH1A1HTTGPR139CYP26A1
SCHEMBL11559647 0.80 GPR139 (0.34) PTGDR2PTGS1GPR139MAP3K14EGLN1
SCHEMBL11507538 0.80 MAPT (0.39) PTGDR2SLC6A3SLC6A2SLC6A4ALDH1A1

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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