SCHEMBL4757300

SCHEMBL4757300

Cc1[c]nc2ccc(N)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
PLAU P00749 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 3/20 0.40
ATM Q13315 2/20 0.40
HTT P42858 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TSHR P16473 1/20 0.40
EGFR P00533 1/20 0.39
KMT2A Q03164 4/20 0.38
TLR9 Q9NR96 1/20 0.38
MEN1 O00255 3/20 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
SCHEMBL4757272 0.77 KDM4E (0.40) KDM4EMAPTTSHRKMT2ACYP2A6
SCHEMBL4755792 0.74 ALDH1A1 (0.50) KDM4ELMNAPOLBCASP6SMN1; SMN2
SCHEMBL521935 0.74 NQO2 (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL1230212 0.69 KMT2A (0.64) KDM4ELMNAPOLBCASP6PLAU
SCHEMBL29711628 0.69 KMT2A (0.64) KDM4ELMNAPOLBCASP6PLAU
SCHEMBL30343134 0.69 KMT2A (0.53) KDM4ELMNAPOLBCASP6PLAU
SCHEMBL1770021 0.69 KMT2A (0.53) KDM4ELMNAPOLBCASP6PLAU
SCHEMBL12500744 0.68 KDM4E (0.57) KDM4ELMNAPOLBCASP6PLAU
SCHEMBL29847851 0.68 KDM4E (0.57) KDM4ELMNAPOLBCASP6PLAU
SCHEMBL7630593 0.68 KDM4E (0.52) KDM4ELMNAPOLBCASP6PLAU

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-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed