SCHEMBL11527366

SCHEMBL11527366

Cc1conc1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
CATSPER1 Q8NEC5 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRD5A2 P31213 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10478050 0.79 MAPT (0.47) PTGS2CATSPER1ALDH1A1KMT2AMEN1
SCHEMBL1026251 0.77
SCHEMBL8463065 0.75 PTGS2 (0.56) PTGS2CATSPER1ALDH1A1KMT2AMEN1
SCHEMBL22245510 0.75 PTGS2 (0.52) PTGS2ALDH1A1KMT2AMEN1NPC1
SCHEMBL6587237 0.73 PKM (0.50) PTGS2CATSPER1ALDH1A1KMT2AMEN1
SCHEMBL15891186 0.72 ALDH1A1 (0.56) CATSPER1ALDH1A1KMT2AMEN1NPC1
SCHEMBL5750757 0.72 ALDH1A1 (0.53) PTGS2ALDH1A1KMT2AMEN1NPC1
SCHEMBL1790158 0.71
Benzophenone SCHEMBL2156249 0.69 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1NPC1HPGD
SCHEMBL17263069 0.69 KMT2A (0.52) ALDH1A1KMT2AMEN1NPC1KDM4E

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-4164395-A USING A SULFONYL OXIME AS ACTIVATOR FMC CORPORATION (US) 1979-08-14 US disclosed