SCHEMBL11688337

SCHEMBL11688337

C#CCn1nc(Cl)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MIF P14174 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL6069457 0.77 CNR1 (0.50) CNR1CNR2MEN1LMNAKMT2A
SCHEMBL9334671 0.74 RAB9A (0.48) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL22151026 0.73 MAPT (0.52) HSD17B10CNR1ACHECNR2CYP1A2
SCHEMBL19911563 0.72 ALDH1A1 (0.45) CYP1A2MAPTGLSMEN1KMT2A
SCHEMBL19911543 0.71 ALDH1A1 (0.44) CYP1A2MAPTGLSMEN1LMNA
SCHEMBL22151047 0.71 CNR2 (0.58) CNR1ACHECNR2CYP1A2MAPT
SCHEMBL5464933 0.70 CNR2 (0.46) HSD17B10CNR1ACHECNR2MAPT
SCHEMBL5307216 0.69 CNR2 (0.48) CNR1ACHECNR2MAPTGLS
SCHEMBL28530268 0.69 HTR7 (0.52) CYP1A2MAPTMEN1LMNAKMT2A
SCHEMBL22151034 0.68 CNR2 (0.44) CNR1ACHECNR2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4020111-A Propynyloxy alkyl arene insecticides HENNESSY DOUGLAS J 1977-04-26 — — US disclosed
US-3954793-A INSECTICIDES HENNESSY DOUGLAS J 1976-05-04 — — US disclosed
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