SCHEMBL9232152

SCHEMBL9232152

C=CCc1nc2c(=O)ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TNKS O95271 3/20 0.34
TNKS2 Q9H2K2 3/20 0.34
PARP2 Q9UGN5 1/20 0.34
POLB P06746 2/20 0.34
DDAH1 O94760 1/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL9697197 0.79 PSMD14 (0.34) KDM4EMEN1KMT2APDE10APOLB
SCHEMBL2163311 0.79 MAPT (0.40) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL10634828 0.77 GRIN2B (0.50) KDM4EMEN1KMT2APDE10AMAPT
SCHEMBL3258402 0.77 MGAM (0.45) ALDH1A1
SCHEMBL4633990 0.77 CHEK1 (0.50) KDM4EMEN1KMT2APDE10APOLB
SCHEMBL5182911 0.77 CNR2 (0.45) GRIN1GRIN2B
SCHEMBL7876698 0.76 RAB9A (0.56) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL463268 0.76 DDAH1 (0.59) MEN1KMT2APOLBDDAH1MAPT
SCHEMBL4366276 0.75 KMT2A (0.44) KDM4EMEN1KMT2APDE10APOLB
SCHEMBL7564203 0.75 HTR6 (0.44) RAB9ANPC1ALDH1A1GRIN1GRIN2B

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-5527815-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, AND HIGH INTRAOCULAR PRESSURE KOTOBUKI SEIYAKU CO., LTD. (JP) 1996-06-18 US disclosed