SCHEMBL9728467

SCHEMBL9728467

Cn1c(NC(=O)c2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.72
NPC1 O15118 4/20 0.72
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPT P10636 1/20 0.62
PDE11A Q9HCR9 1/20 0.60
PDE10A Q9Y233 1/20 0.60
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TP53 P04637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
USP2 O75604 2/20 0.53
LMNA P02545 1/20 0.53
ADORA3 P0DMS8 3/20 0.52
HDAC6 Q9UBN7 2/20 0.50
ADORA2A P29274 1/20 0.50

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
SCHEMBL9728645 0.92 RAB9A (0.61) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL9728472 0.84 KDM4E (0.57) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL29510945 0.84 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL14773948 0.84 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL9728402 0.83 RAB9A (0.57) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL9728156 0.83 KDM4E (0.73) RAB9ANPC1KDM4EALDH1A1PDE11A
SCHEMBL9728648 0.82 ADORA3 (0.57) RAB9ANPC1KDM4ETP53NPSR1
SCHEMBL9728470 0.80 RAB9A (0.68) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL17916715 0.79 RAB9A (0.89) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL10004321 0.77 KDM4E (0.58) RAB9ANPC1KDM4EALDH1A1MAPT

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
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US claimed
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed