SCHEMBL11509749

SCHEMBL11509749

Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)n(C(C)c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ HGFAC Q04756 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HTR1E P28566 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ ALOX12 P18054 1/20 0.36

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
SCHEMBL11511357 0.90 MAPT (0.43) MAPTALDH1A1GAAMAPK1KMT2A
SCHEMBL11512193 0.85 ALOX5 (0.40) MAPTALDH1A1GAAMAPK1KMT2A
SCHEMBL11509267 0.85 KDM4E (0.40) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL11509376 0.84 S1PR3 (0.43) MAPTGAAKMT2AS1PR3
SCHEMBL11507137 0.83 PTGS1 (0.37) MAPTALDH1A1KMT2AMEN1S1PR3
SCHEMBL11508451 0.82 GCGR (0.41) —
SCHEMBL11507587 0.82 POLB (0.39) MAPTGAARAB9AS1PR3NPC1
SCHEMBL11510235 0.82 MAPT (0.42) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL11507933 0.82 MDM2 (0.39) MAPTTHRBKMT2AS1PR3
SCHEMBL11509813 0.80 S1PR3 (0.37) MAPTS1PR3

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-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-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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