SCHEMBL7977592

SCHEMBL7977592

CC(=O)Cc1ccc2[nH]c(S)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL6324712 0.79 HSD17B10 (0.40) HSD17B10PARP1
SCHEMBL9305475 0.79 KIF11 (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11808209 0.78 KIF11 (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13080216 0.76 KIF11 (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10707110 0.76 CNR1 (0.37) KDM4EMAPTKMT2ALMNANPC1
SCHEMBL4976888 0.76 KDM4E (0.31) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL21708439 0.75 MAOA (0.40) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL8083834 0.74 TUBB4A (0.43) LMNATSHR
SCHEMBL6608676 0.73 KDM4E (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10846158 0.73 ATP4A (0.36) KDM4EALDH1A1MAPTMEN1KMT2A

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed