SCHEMBL9054166

SCHEMBL9054166

Cc1cc(N(C)CCCN2CCN(Cc3ccccc3)CC2)cc(CSc2nc3ccccc3[nH]2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
OPRL1 P41146 1/20 0.42
SOAT1 P35610 3/20 0.41
ATM Q13315 1/20 0.40
ALPL P05186 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9052356 0.95 BCHE (0.50) BCHEACHEGRIN2AGRIN2BGRIN2C
SCHEMBL9052895 0.79 ALDH1A1 (0.45) ALDH1A1MAPTPKMKDM4EMEN1
Hydrochloric Acid SCHEMBL7839685 0.72 BCHE (0.47) BCHEACHEGRIN2AGRIN2BGRIN2C
SCHEMBL9052994 0.70 MAPT (0.60) BCHEALDH1A1MAPTPKMKDM4E
Hydrochloric Acid SCHEMBL7848636 0.68 GRIN2B (0.59) BCHEACHEGRIN2AGRIN2BGRIN2C
SCHEMBL9052207 0.67 KMT2A (0.53) BCHEALDH1A1MAPTPKMKDM4E
Hydrochloric Acid SCHEMBL9052566 0.66 KMT2A (0.52) BCHEALDH1A1MAPTPKMKDM4E
SCHEMBL2949736 0.65 RAB9A (1.00) BCHEALDH1A1MAPTMEN1KMT2A
SCHEMBL31325504 0.65 RAB9A (1.00) BCHEALDH1A1MAPTMEN1KMT2A
SCHEMBL10871003 0.65 ALDH1A1 (0.67) BCHEALDH1A1MAPTMEN1KMT2A

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
WO-1996022297-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS 1996-10-03 WO disclosed