SCHEMBL9458995

SCHEMBL9458995

CC(CC(=O)O)c1c(-c2ccccc2)c(-c2ccccc2)n2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 12/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ PTGS1 P23219 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MYC P01106 1/20 0.36

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
SCHEMBL9535814 0.71 KMT2A (0.38) KMT2AMEN1PTGESALOX5KDM4E
SCHEMBL10948857 0.68 CSNK2B (0.48) KMT2AMEN1ALOX5KDM4ELMNA
SCHEMBL9458606 0.68 ALOX5 (0.53) KMT2AMEN1PTGESALOX5PTGS1
SCHEMBL1514634 0.67 KMT2A (0.76) KMT2AMEN1PTGESALOX5KDM4E
SCHEMBL9458734 0.67 PTGES (0.65) PTGESALOX5PTGS1
SCHEMBL7001656 0.67 KMT2A (0.52) KMT2AMEN1PTGESALOX5KDM4E
SCHEMBL6475789 0.66 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL6475197 0.66 KMT2A (0.70) KMT2AMEN1ALOX5KDM4EALDH1A1
SCHEMBL10951911 0.66 KMT2A (0.45) KMT2AMEN1PTGESALOX5KDM4E
SCHEMBL10957000 0.66 KMT2A (0.45) KMT2AMEN1PTGESALOX5KDM4E

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-5260451-A Enzyme inhibitors MERCKLE GMBH (DE) 1993-11-09 — — US disclosed
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