SCHEMBL21393415

SCHEMBL21393415

C=Nc1c(Cl)ncc(C)c1C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 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
SCHEMBL21393780 0.71 CYP1A2 (0.33)
SCHEMBL31368738 0.63 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL20187406 0.63 KDM4E (0.47) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL22544354 0.63 NPC1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL5725168 0.63 CSNK1A1 (0.38) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL21393825 0.62 CSNK1A1 (0.33) ALDH1A1SMN1; SMN2POLB
SCHEMBL31368709 0.62 POLB (0.47) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL17692459 0.62 SMN1; SMN2 (0.37) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL10872964 0.62 POLB (0.33) ALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL1661890 0.62 SMN1; SMN2 (0.40) ALDH1A1MAPK1SMN1; SMN2POLB

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