SCHEMBL9728156

SCHEMBL9728156

CCCn1c(NC(=O)c2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.73
KMT2A Q03164 8/20 0.73
MEN1 O00255 7/20 0.73
TSHR P16473 4/20 0.73
NPSR1 Q6W5P4 4/20 0.63
HSD17B10 Q99714 3/20 0.63
USP2 O75604 2/20 0.63
LMNA P02545 2/20 0.63
TP53 P04637 1/20 0.63
HTT P42858 5/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 5/20 0.61
RXFP1 Q9HBX9 1/20 0.61
PPARG P37231 1/20 0.61
NCOA2 Q15596 1/20 0.61
NCOA1 Q15788 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61

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) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL10916324 0.80 KDM4E (0.71) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL9728402 0.78 RAB9A (0.57) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL11703846 0.78 KDM4E (1.00) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL9728648 0.76 ADORA3 (0.57) KDM4ENPSR1TP53RAB9ATDP1
SCHEMBL29850001 0.76 MAP3K7 (0.83) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL9728645 0.76 RAB9A (0.61) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL11705345 0.76 KDM4E (0.91) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL20063046 0.74 MAP3K7 (1.00) KDM4EKMT2AMEN1TSHRNPSR1
SCHEMBL29722841 0.74 MAP3K7 (1.00) KDM4EKMT2AMEN1TSHRNPSR1

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