SCHEMBL9564299

SCHEMBL9564299

O=[N+]([O-])c1ccc2ccccc2c1.[NH]CC12CCCN1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALPG P10696 1/20 0.39
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CNR2 P34972 2/20 0.37
BCHE P06276 1/20 0.37
CNR1 P21554 1/20 0.37
MGLL Q99685 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
DRD4 P21917 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
Nitrobenzene SCHEMBL9564264 0.84 LMNA (0.47) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL9564285 0.78 ALDH1A1 (0.55) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL57616 0.74 LMNA (0.56) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL29929890 0.74 LMNA (0.56) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL28688755 0.70 TSHR (0.47) RAB9AMEN1KMT2AMAPTALDH1A1
Methyl Alcohol SCHEMBL28005405 0.70 MEN1 (0.52) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL5167846 0.69 LMNA (0.54) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL31677837 0.69 LMNA (0.54) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL2760792 0.69 LMNA (0.54) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL8553021 0.68 LMNA (0.52) RAB9AMAPTALDH1A1LMNATHRB

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
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed