SCHEMBL11463589

SCHEMBL11463589

CC(=O)Oc1c(-c2ccccc2)c(C)nn1C(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 7/20 0.43
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP26A1 O43174 1/20 0.37
▸ GCGR P47871 1/20 0.36
▸ GPR139 Q6DWJ6 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35

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
SCHEMBL11454347 0.89 MAP3K14 (0.41) MAP3K14CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11459956 0.89 MAP3K14 (0.41) MAP3K14CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11596474 0.89 MAP3K14 (0.41) MAP3K14LMNACYP1A2CYP2C9CYP2C19
SCHEMBL11452706 0.88 MAP3K14 (0.40) MAP3K14LMNACYP1A2CYP2C9CYP2C19
SCHEMBL11454020 0.88 MAP3K14 (0.40) MAP3K14CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11453337 0.87 PDE2A (0.39) MAP3K14LMNACYP1A2CYP2C9CYP2C19
SCHEMBL11461089 0.87 MAPT (0.45) MAP3K14CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11472733 0.87 MAPT (0.43) MAP3K14CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11453043 0.87 MAP3K14 (0.39) MAP3K14LMNACYP1A2CYP2C9CYP2C19
SCHEMBL11465090 0.87 MAP3K14 (0.41) MAP3K14CYP1A2CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207325-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE AND ANTITHROMBOTIC PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1980-06-10 — — US disclosed
US-4113872-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS BAKER AKTIENGESELLSHAFT (DE) 1978-09-12 — — US disclosed
US-4112109-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4099011-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-07-04 — — US disclosed
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