SCHEMBL11452706

SCHEMBL11452706

Cc1nn(C(C)c2ccc(Cl)c(Cl)c2)c(OC(=O)c2ccccc2Cl)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 6/20 0.40
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP26A1 O43174 1/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 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
SCHEMBL11463589 0.88 MAP3K14 (0.43) MAP3K14KMT2ACYP1A2CYP2C9CYP26A1
SCHEMBL11461089 0.87 MAPT (0.45) MAP3K14MAPTKMT2ACYP1A2CYP2C9
SCHEMBL11465090 0.87 MAP3K14 (0.41) MAP3K14MAPTKMT2ACYP1A2CYP2C9
SCHEMBL11451911 0.86 MAP3K14 (0.41) MAP3K14MAPTKMT2ACYP1A2CYP2C9
SCHEMBL11454347 0.86 MAP3K14 (0.41) MAP3K14MAPTKMT2ACYP1A2CYP2C9
SCHEMBL11452751 0.85 MAP3K14 (0.40) MAP3K14MAPTKMT2ACYP1A2CYP2C9
SCHEMBL11459956 0.85 MAP3K14 (0.41) MAP3K14KMT2ACYP1A2CYP2C9CYP26A1
SCHEMBL11596474 0.85 MAP3K14 (0.41) MAP3K14KMT2ACYP1A2CYP2C9CYP26A1
SCHEMBL11454000 0.85 GCGR (0.42) MAP3K14MAPTKMT2ACYP1A2CYP2C9
SCHEMBL11454020 0.84 MAP3K14 (0.40) MAP3K14KMT2ACYP1A2CYP2C9CYP26A1

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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