SCHEMBL9728402

SCHEMBL9728402

CC(C)n1c(NC(=O)c2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
KDM4E B2RXH2 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
ADORA3 P0DMS8 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDE11A Q9HCR9 1/20 0.48
PDE10A Q9Y233 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL9728467 0.83 RAB9A (0.72) RAB9ANPC1KDM4ENPSR1TDP1
SCHEMBL9728648 0.80 ADORA3 (0.57) RAB9ANPC1KDM4ENPSR1TDP1
SCHEMBL10923666 0.79 KDM4E (0.68) RAB9ANPC1KDM4ETDP1KMT2A
SCHEMBL9728156 0.78 KDM4E (0.73) RAB9ANPC1KDM4ENPSR1TDP1
SCHEMBL9728645 0.76 RAB9A (0.61) RAB9ANPC1KDM4ENPSR1ADORA3
SCHEMBL31542050 0.76 HDAC6 (0.53) RAB9ANPC1KDM4EKMT2AMEN1
SCHEMBL1102251 0.75 KDM4E (0.62) KDM4EKMT2AMEN1TSHRLMNA
Hydrochloric Acid SCHEMBL6930435 0.74 RAB9A (0.62) RAB9ANPC1KDM4ENPSR1TDP1
SCHEMBL29510945 0.73 RAB9A (1.00) RAB9ANPC1KDM4ENPSR1TDP1
SCHEMBL14773948 0.73 RAB9A (1.00) RAB9ANPC1KDM4ENPSR1TDP1

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