SCHEMBL11853656

SCHEMBL11853656

C=CCc1cccc2[nH]c([N+](=O)[O-])nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ MAPT P10636 7/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ PARP1 P09874 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
SCHEMBL2163311 0.77 MAPT (0.40) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL11853662 0.77 MAPT (0.35) GAAPDE4APDE4CPDE4DGABRA1
SCHEMBL1075197 0.76 NUDT1 (0.44) GABRA1GABRB2MAPTPOLBMEN1
SCHEMBL3660175 0.76 GABRA1 (0.46) GAAGABRA1GABRB2MAPTPOLB
SCHEMBL3658175 0.74 CNR2 (0.40) GABRA1GABRB2MAPTPOLBNPC1
SCHEMBL6332531 0.73 PKN1 (0.61) PKN1PKN2MGAMGAASI
SCHEMBL1984812 0.73 L3MBTL1 (0.48) GAAGABRA1GABRB2MAPTPOLB
SCHEMBL6403069 0.72 TDP1 (0.49) PKN1PKN2MGAMGAASI
SCHEMBL18152752 0.72 PKN1 (0.42) PKN1PKN2MGAMGAASI
SCHEMBL10400677 0.71 MAOB (0.45) MAPTNPC1LMNARAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000295-A ARACHNICIDAL ELI LILLY AND COMPANY (US) 1976-12-28 — — US disclosed
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