SCHEMBL11511357

SCHEMBL11511357

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ MAOA P21397 1/20 0.37

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 0.90 MAPT (0.39) MAPTALDH1A1GAAMAPK1NPC1
SCHEMBL11512193 0.81 ALOX5 (0.40) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL11619950 0.79 LMNA (0.55) MAPTLMNAHTTGAAMAPK1
SCHEMBL11509157 0.79 LMNA (0.40) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL11599847 0.79 MAPT (0.49) MAPTALDH1A1GAAMAPK1NPC1
SCHEMBL11510235 0.78 MAPT (0.42) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL11509730 0.78 IDO1 (0.36) MAPTALDH1A1HPGD
SCHEMBL11509267 0.74 KDM4E (0.40) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL11601247 0.73 KMT2A (0.50) MAPTALDH1A1HPGDLMNAHTT
SCHEMBL11509376 0.73 S1PR3 (0.43) MAPTGAAKMT2A

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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