SCHEMBL21393778

SCHEMBL21393778

C=Nc1nccc(Cl)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DAO P14920 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
SCHEMBL20203156 0.78 CCR1 (0.32)
SCHEMBL304349 0.76 ALDH1A1 (0.52) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL30255032 0.76 ALDH1A1 (0.52) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL15240397 0.72 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL5212066 0.72 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL25195292 0.72 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL29956118 0.72 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL30356708 0.72 ALDH1A1 (0.48) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL3649684 0.71 ALDH1A1 (0.46) MEN1ALDH1A1KMT2ATDP1DAO
SCHEMBL29952613 0.71 ALDH1A1 (0.46) MEN1ALDH1A1KMT2ATDP1DAO

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