SCHEMBL11618190

SCHEMBL11618190

Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)n(Cc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ P2RY14 Q15391 1/20 0.43
▸ CCR2 P41597 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HGFAC Q04756 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40

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
SCHEMBL11619950 0.91 LMNA (0.55) RAB9AGAAHTTLMNAP2RY14
SCHEMBL11615741 0.85 ALOX5 (0.41) RAB9AGAAHTTLMNAMAPT
SCHEMBL11619002 0.83 GAA (0.47) RAB9AGAAMAPTALOX15KMT2A
SCHEMBL11613118 0.82 MAPT (0.46) RAB9AGAAHTTLMNAMAPT
SCHEMBL11616926 0.79 RAB9A (0.43) RAB9AGAACCR2MAPTALOX15
SCHEMBL11613326 0.77 GAA (0.43) RAB9AGAAHTTLMNAMAPT
SCHEMBL11609351 0.77 PTGDR2 (0.44) RAB9AGAAHTTLMNAMAPT
SCHEMBL11616942 0.77 RAB9A (0.43) RAB9AGAAHTTLMNAMAPT
SCHEMBL11509749 0.77 MAPT (0.39) RAB9AGAAMAPTKMT2AHGFAC
SCHEMBL11615637 0.77 GAA (0.57) RAB9AGAALMNAP2RY14MAPT

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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