SCHEMBL8564697

SCHEMBL8564697

[c]1ccc(Nc2ccc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.53
RAB9A P51151 8/20 0.46
NPC1 O15118 8/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 2/20 0.45
RHOA P61586 1/20 0.45
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
PDE10A Q9Y233 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 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
SCHEMBL396525 0.85 NCF1 (0.61) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL29833517 0.85 NCF1 (0.61) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10458402 0.80 NCF1 (0.71) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL30760998 0.80 NCF1 (0.71) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL1703350 0.80 NCF1 (0.55) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL4494871 0.79 KMT2A (0.58) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12431347 0.79 NCF1 (0.58) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL4812645 0.79 NCF1 (0.53) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL29110577 0.79 NPC1 (0.58) NCF1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL31098987 0.75 RAB9A (0.61) NCF1RAB9ANPC1KDM4ESMN1; SMN2

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-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed