SCHEMBL4771863

SCHEMBL4771863

N#Cc1ccc2cccc(Cl)c2n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.62
SRC P12931 1/20 0.50
PSMB8 P28062 5/20 0.46
CHEK1 O14757 1/20 0.39
XPO1 O14980 2/20 0.39
PSMB5 P28074 1/20 0.39
MET P08581 3/20 0.37
AR P10275 1/20 0.37
NQO1 P15559 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
LMNA P02545 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
CTSB P07858 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
SCHEMBL18024169 0.82 SOS2 (0.42) SOS2SRCPSMB8XPO1AR
SCHEMBL5346454 0.79 SOS2 (0.63) SOS2SRCMETNQO1CTSB
SCHEMBL11036934 0.77 SOS2 (0.62) SOS2SRCARNQO1
SCHEMBL13977559 0.77 SOS2 (0.62) SOS2SRCMETNQO1LMNA
SCHEMBL30824469 0.77 SOS2 (0.62) SOS2SRCMETARNQO1
SCHEMBL906658 0.77 SOS2 (1.00) SOS2SRCCYP1A2LMNACTSB
SCHEMBL3578542 0.77 SOS2 (0.62) SOS2SRCMETNQO1SLC40A1
Hydrochloric Acid SCHEMBL3587293 0.76 SOS2 (0.61) SOS2SRCMETNQO1SLC40A1
Lithium Ion SCHEMBL6401336 0.76 SOS2 (0.61) SOS2SRCMETNQO1LMNA
Hydrochloric Acid SCHEMBL3569256 0.76 SOS2 (0.61) SOS2SRCMETNQO1SLC40A1

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
EP-2007727-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2008-12-31 EP disclosed
WO-2007104726-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2007-09-20 WO disclosed