SCHEMBL17590963

SCHEMBL17590963

CCN(C(=O)CCS(=O)(=O)CC1CC1(F)F)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SCD O00767 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
USP2 O75604 1/20 0.32
ATM Q13315 1/20 0.32
DGAT1 O75907 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL15346756 0.91 CPB2 (0.33) CPB2NPC1RAB9AARG1ARG2
SCHEMBL16658306 0.86
SCHEMBL16660625 0.85 SCD (0.32) CPB2NPC1RAB9ASCDSLC6A2
SCHEMBL16656991 0.85
SCHEMBL15908581 0.84 CPB2 (0.35) CPB2NPC1RAB9ASCDARG1
SCHEMBL15975582 0.83 NPC1 (0.39) NPC1RAB9AUSP2ATMDGAT1
SCHEMBL15357430 0.82 ARG1 (0.31) NPC1RAB9AARG1ARG2DGAT1
SCHEMBL16657672 0.82 CPB2 (0.31) CPB2NPC1RAB9ASCD
SCHEMBL15357513 0.79 USP2 (0.33) NPC1RAB9AUSP2ATMDGAT1
SCHEMBL18878056 0.78 NPC1 (0.41) NPC1RAB9AUSP2ATMDGAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed