SCHEMBL8215569

SCHEMBL8215569

O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.53
MEN1 O00255 11/20 0.53
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 8/20 0.49
LMNA P02545 3/20 0.49
ABCB1 P08183 1/20 0.49
POLB P06746 4/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
EGFR P00533 2/20 0.42

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
Hydrochloric Acid SCHEMBL8218157 0.99 KMT2A (0.52) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL8221080 0.88 MAPT (0.54) KMT2AMEN1MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8218987 0.87 MAPT (0.53) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL8201498 0.85 MAPT (0.48) KMT2AMEN1MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8221068 0.84 MAPT (0.47) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL8218244 0.84 MAPT (0.45) KMT2AMEN1MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8222018 0.83 MAPT (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL8209221 0.83 MAOB (0.52) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL8201457 0.83 DRD2 (0.45) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL8221093 0.83 MAPT (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1

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
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO claimed
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO disclosed