SCHEMBL11507933

SCHEMBL11507933

Cc1cc(OC(=O)c2cc(F)cc(F)c2)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.39
▸ THRB P10828 1/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ APP P05067 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
SCHEMBL11507137 0.88 PTGS1 (0.37) EGLN1PTGS1S1PR1S1PR3MAPT
SCHEMBL11509267 0.86 KDM4E (0.40) EGLN1MAPTALOX15KMT2ASLC6A3
SCHEMBL11509813 0.86 S1PR3 (0.37) EGLN1S1PR1S1PR3MAPTGCGR
SCHEMBL11509376 0.85 S1PR3 (0.43) EGLN1PTGS1S1PR1S1PR3MAPT
SCHEMBL11508451 0.84 GCGR (0.41) GCGRGPR139
SCHEMBL11507587 0.83 POLB (0.39) EGLN1S1PR1S1PR3MAPT
SCHEMBL11510067 0.83 S1PR4 (0.40) EGLN1S1PR1S1PR3MAPT
SCHEMBL11509784 0.83 PTGS1 (0.38) EGLN1PTGS1GPR139SLC6A3
SCHEMBL11510040 0.82 OGA (0.34) EGLN1PTGS1GPR139PSEN1PSEN2
SCHEMBL11508260 0.82 S1PR1 (0.39) S1PR1S1PR3MAPTKMT2ASLC6A3

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 6 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-4122279-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-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
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