SCHEMBL8976112

SCHEMBL8976112

CC(=O)n1c2ccc(Br)cc2c2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
TSPO P30536 2/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
LMNA P02545 2/20 0.41
ELANE P08246 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
PDE4A P27815 2/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTAFR P25105 1/20 0.39

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
SCHEMBL29865552 0.80 BAZ2B (0.56) BAZ2BPOLBTSPOLMNAELANE
SCHEMBL14717080 0.80 BAZ2B (0.56) BAZ2BPOLBTSPOLMNAELANE
SCHEMBL9983145 0.79 POLB (0.70) BAZ2BNPC1RAB9AL3MBTL1POLB
SCHEMBL8976235 0.78 FEN1 (0.42) TSPODDB1CRBNKDM4EMAPT
SCHEMBL17339010 0.74 FEN1 (0.46) L3MBTL1DDB1CRBNKDM4EPDE4A
SCHEMBL12166069 0.74 MYC (0.45) L3MBTL1POLBLMNAELANEKDM4E
SCHEMBL17105722 0.73 MEN1 (0.38) DDB1CRBNLMNAKDM4EMAPT
SCHEMBL14253011 0.73 BAZ2B (0.45) BAZ2BNPC1RAB9APOLBTSPO
SCHEMBL675512 0.72 PTGDR2 (0.48) LMNAMAPTALDH1A1
SCHEMBL12166116 0.71 HSD17B10 (0.44) L3MBTL1LMNAELANEKDM4EMAPT

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-5532261-A TREATING STAPHYLOCOCCUS INFECTIONS MERCK & CO., INC. (US) 1996-07-02 US disclosed