SCHEMBL10475657

SCHEMBL10475657

O=c1ccn(C(OCCO)c2ccncc2)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DUT P33316 8/20 0.36
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CRBN Q96SW2 2/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL10475448 0.80 DUT (0.34) ALDH1A1LMNADUTPOLBHSD17B10
SCHEMBL10474541 0.79 TK2 (0.39) ALDH1A1LMNAPOLB
SCHEMBL11201646 0.76 HCAR1 (0.38) ALDH1A1LMNA
SCHEMBL14389711 0.75 PKM (0.43) ALDH1A1LMNADUTPOLBHSD17B10
SCHEMBL11102286 0.75 PKM (0.43) ALDH1A1LMNADUTPOLBHSD17B10
SCHEMBL10475450 0.73 POLB (0.33) ALDH1A1LMNADUTPOLBHSD17B10
SCHEMBL254089 0.72 POLB (0.45) ALDH1A1LMNADUTPOLBHSD17B10
SCHEMBL16385464 0.71 PKM (0.40) ALDH1A1LMNADUTPOLBHSD17B10
SCHEMBL21318352 0.71 PKM (0.43) ALDH1A1LMNADUTPOLBHSD17B10
SCHEMBL13187769 0.71 POLB (0.39) ALDH1A1LMNADUTPOLBHSD17B10

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-1990009999-A1 SECO-NUCLEOSIDE DERIVATIVES AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1990-09-07 — — WO disclosed
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