SCHEMBL437613

SCHEMBL437613

CCc1cccc2c(N)c(Br)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
HAVCR2 Q8TDQ0 1/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TLR8 Q9NR97 1/20 0.35
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
CTSB P07858 1/20 0.34
ELANE P08246 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA2 P47869 1/20 0.34
MEN1 O00255 2/20 0.33
GAA P10253 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
SCHEMBL440440 0.81 HAVCR2 (0.47) GABRA1GABRB2HAVCR2KMT2ARAB9A
SCHEMBL442133 0.79 BACE1 (0.41) HAVCR2KMT2ACTSBMEN1APAF1
SCHEMBL441701 0.78 ALDH1A1 (0.43) HAVCR2KMT2ARAB9ANPC1MEN1
SCHEMBL442207 0.77 HAVCR2 (0.65) GABRA1GABRB2HAVCR2KMT2ARAB9A
SCHEMBL441951 0.75 HAVCR2 (0.58) GABRA1GABRB2HAVCR2KMT2AGABRG2
SCHEMBL435823 0.75 PARP1 (0.41) HAVCR2KMT2ACTSBALOX5APFEN1
SCHEMBL22492368 0.75 GABRA1 (0.45) GABRA1GABRB2KMT2ARAB9ANPC1
SCHEMBL435849 0.74 HTR1A (0.44)
SCHEMBL440370 0.74 PARP1 (0.45) PARP1
SCHEMBL440812 0.73 KMT2A (0.70) HAVCR2KMT2ARAB9ANPC1MEN1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed