SCHEMBL9847248

SCHEMBL9847248

c1ccc2c(c1)CC(c1cc3ccccc3[nH]1)[N]2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
AURKA O14965 2/20 0.35
KDR P35968 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AURKB Q96GD4 1/20 0.34
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ESR1 P03372 1/20 0.33
FLT3 P36888 1/20 0.33
CYP2A6 P11509 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
DAO P14920 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SRD5A2 P31213 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 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
SCHEMBL4172788 0.69 AOC3 (0.38) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL2036346 0.68 AOC3 (0.37) AOC3NPC1RAB9AALDH1A1SLC6A4
SCHEMBL28750379 0.68 ADRA1A (0.43) AOC3ALDH1A1PYGLPYGM
SCHEMBL11884403 0.68 AR (0.49) AOC3AURKAKDRNPC1RAB9A
SCHEMBL73543 0.68 AOC3 (0.47) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL21408185 0.67 KDR (0.47) AURKAKDRPDGFRBFGFR1FLT3
SCHEMBL7481839 0.67 FLT3 (0.37) AOC3AURKAKDRNPC1RAB9A
SCHEMBL5803120 0.67 KDM4E (0.40) AURKANPC1RAB9AFGFR1FLT3
SCHEMBL5667289 0.67 AOC3 (0.36) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL6691603 0.67 PRCP (0.53) MAPTALDH1A1

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
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP claimed