SCHEMBL11512193

SCHEMBL11512193

Cc1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C(C)c2ccc(Cl)c(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.40
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ ALOX12 P18054 2/20 0.37
▸ PTGES O14684 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 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
SCHEMBL11509749 0.85 MAPT (0.39) MEN1KMT2AALOX12ALDH1A1MAPT
SCHEMBL11511357 0.81 MAPT (0.43) MEN1KMT2AALOX12ALDH1A1MAPT
SCHEMBL11510235 0.79 MAPT (0.42) MEN1KMT2AALOX12ALDH1A1MAPT
SCHEMBL11508636 0.78 GPR139 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11507137 0.78 PTGS1 (0.37) MEN1KMT2AALDH1A1MAPTS1PR3
SCHEMBL11615741 0.78 ALOX5 (0.41) ALOX5MEN1KMT2AALOX12PTGES
SCHEMBL11509376 0.77 S1PR3 (0.43) KMT2AMAPTGAAS1PR3
SCHEMBL11507933 0.77 MDM2 (0.39) KMT2AMAPTS1PR3
SCHEMBL11509267 0.76 KDM4E (0.40) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11508260 0.74 S1PR1 (0.39) MEN1KMT2AALDH1A1MAPTGAA

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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