SCHEMBL9326162

SCHEMBL9326162

O=c1cc[c]nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 2/20 0.37
MITF O75030 1/20 0.37
S1PR4 O95977 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
S1PR1 P21453 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HIF1A Q16665 1/20 0.36
BCAT1 P54687 1/20 0.36

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
SCHEMBL102010 0.68 ALDH1A1 (0.45) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL16474745 0.68 MAPK1 (0.52) HTTMAPTKMT2AGAAALDH1A1
SCHEMBL3043828 0.67 CA12 (0.61) HTTMAPTKMT2AGAAALDH1A1
SCHEMBL7901032 0.65 ALDH1A1 (0.46) HTTMAPTKMT2AGAAMEN1
SCHEMBL7005928 0.65 POLB (0.35) HTTMAPTKMT2AGAAALDH1A1
SCHEMBL3488539 0.65 HTT (0.41) HTTMAPTKMT2AGAAMEN1
SCHEMBL322662 0.64 HTT (0.54) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL11249037 0.64 POLB (0.38) HTTMAPTGAAALDH1A1LMNA
SCHEMBL10642406 0.64 HTT (0.58) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL15954176 0.64 POLB (0.47) HTTMAPTGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP claimed
EP-0320531-A1 Agent or concentrate for preserving wood and wooden materials DESOWAG Materialschutz GmbH (DE) 1989-06-21 EP claimed
EP-0017738-B1 AN INSECTICIDAL AND MITICIDAL COMPOSITION WHICH CONTAINS A CARBAMATE AND AN ORGANIC PHOSPHORUS COMPOUND, AND A METHOD OF CONTROLLING INSECTS AND MITES THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-08 EP claimed
EP-0017738-A1 An insecticidal and miticidal composition which contains a carbamate and an organic phosphorus compound, and a method of controlling insects and mites therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-29 EP disclosed