SCHEMBL11619950

SCHEMBL11619950

Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)n(Cc2ccc(Cl)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ GAA P10253 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ P2RY14 Q15391 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42

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
SCHEMBL11618190 0.91 RAB9A (0.47) LMNAHTTGAARAB9AP2RY14
SCHEMBL11615637 0.79 GAA (0.57) LMNAGAARAB9AP2RY14MAPT
SCHEMBL11511357 0.79 MAPT (0.43) LMNAHTTGAARAB9AMAPT
SCHEMBL11613118 0.78 MAPT (0.46) LMNAHTTGAARAB9AMAPT
SCHEMBL11599847 0.78 MAPT (0.49) GAARAB9AMAPTKMT2AALOX15
SCHEMBL11615733 0.76 MAPT (0.59) GAARAB9AP2RY14MAPTKMT2A
SCHEMBL28796085 0.74 MAPT (0.57) LMNAHTTGAARAB9AMAPT
SCHEMBL11619002 0.73 GAA (0.47) GAARAB9AMAPTKMT2AALOX15
SCHEMBL11601247 0.72 KMT2A (0.50) LMNAHTTGAARAB9AMAPT
SCHEMBL11615968 0.72 ALOX5 (0.48) HTTGAARAB9AMAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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