SCHEMBL21393825

SCHEMBL21393825

C=Nc1nccc(C)c1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
PLAU P00749 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS3 P29474 2/20 0.31
NOS2 P35228 2/20 0.31
LIMK1 P53667 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22210022 0.81 KDM5A (0.34) PLAU
SCHEMBL21393412 0.81 TYK2 (0.35) ALDH1A1THRB
SCHEMBL6628045 0.75 CSNK1A1 (0.38) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL31662998 0.75 CSNK1A1 (0.38) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL21393782 0.73 CYP1A2 (0.32) PLAUALDH1A1CYP2C19
SCHEMBL25932246 0.72 CSNK1A1 (0.36) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL17692459 0.72 SMN1; SMN2 (0.37) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL28700162 0.72 NAPRT (0.37) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL20203156 0.69 CCR1 (0.32) PLAUCCR1CCR5CCR8NOS3
SCHEMBL6578250 0.67 KDM4E (0.43) ALDH1A1CCR1CCR5CCR8SMN1; SMN2

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-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed