SCHEMBL8441256

SCHEMBL8441256

Brc1cncc([CH]c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
PADI4 Q9UM07 1/20 0.37
G6PD P11413 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL8438601 0.80 CHRM5 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL8436212 0.76 CYP11B2 (0.39) MAPTCYP11B2CYP11B1HCAR2PADI4
SCHEMBL5252884 0.74 ALDH1A1 (0.58) ALDH1A1MAPTG6PDMAPK1NPSR1
SCHEMBL8488935 0.73 RELA (0.42) HTTALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4540899 0.73 HTT (0.50) HTTALOX15ALDH1A1MAPTCYP11B2
SCHEMBL8485821 0.73 VCP (0.41) CYP11B2CYP11B1POLBRAB9AHCAR2
SCHEMBL13585158 0.73 HTT (0.50) HTTALOX15ALDH1A1MAPTCYP11B2
SCHEMBL4537053 0.73 HTT (0.50) HTTALOX15ALDH1A1MAPTCYP11B2
SCHEMBL2548845 0.72 ATM (0.48) ALDH1A1CYP11B2CYP11B1RAB9AMEN1
SCHEMBL7441695 0.71 G6PD (0.54) ALDH1A1MAPTRAB9AMEN1KMT2A

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
WO-1999055703-A1 2-ALKYL-3-(HETERO)ARYL-8-AZABICYCLO[3.2.1]ALKANES AS PESTICIDES ZENECA LIMITED (GB) 1999-11-04 WO disclosed
US-5968947-A INSECTICIDES, ACARICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1999-10-19 US disclosed