SCHEMBL29952639

SCHEMBL29952639

Nc1cc(Cl)c(C=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
PDPK1 O15530 1/20 0.38
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
ERN1 O75460 3/20 0.35
ALDH1A1 P00352 1/20 0.34
FGFR1 P11362 2/20 0.33
SRC P12931 2/20 0.33
MPO P05164 1/20 0.33
TPO P07202 1/20 0.33
EPX P11678 1/20 0.33
LPO P22079 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL15012943 0.83 TDP1 (0.38) TDP1PDPK1NOS3NOS1NOS2
SCHEMBL29411195 0.78 TDP1 (0.45) TDP1ERN1ALDH1A1SRC
SCHEMBL5375502 0.78 NOS3 (0.38) TDP1PDPK1NOS3NOS1NOS2
SCHEMBL899188 0.78 TDP1 (0.45) TDP1ERN1ALDH1A1SRC
SCHEMBL2766838 0.75 NOS3 (0.56) PDPK1NOS3NOS1NOS2ERN1
SCHEMBL16333251 0.75 TDP1 (0.42) TDP1ERN1ALDH1A1SRC
SCHEMBL29956259 0.75 NOS3 (0.56) PDPK1NOS3NOS1NOS2ERN1
SCHEMBL15250374 0.75 TDP1 (0.42) TDP1ERN1ALDH1A1SRC
SCHEMBL31573311 0.75 TDP1 (0.42) TDP1ERN1ALDH1A1SRC
SCHEMBL29425063 0.75 TDP1 (0.42) TDP1ERN1ALDH1A1SRC

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed