SCHEMBL7703679

SCHEMBL7703679

ClC(Cl)c1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
MAPT P10636 4/20 0.43
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FADS1 O60427 1/20 0.42

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
SCHEMBL7382097 0.84 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL1496289 0.84 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL16147058 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL31426874 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL4278256 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL826018 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL11877314 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL14034247 0.77 CNR1 (0.43) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL13868217 0.76 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL19272107 0.76 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A

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
WO-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 WO disclosed