SCHEMBL4498679

SCHEMBL4498679

CCc1c(C(=O)O)c(C=O)n(C)c1-c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
KDM4E B2RXH2 2/20 0.36
FTO Q9C0B1 4/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
BUB1 O43683 1/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
PTK2 Q05397 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL4491009 0.87 ALDH1A1 (0.43) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4490745 0.84 GRIA2 (0.40) KDM4EALDH1A1L3MBTL1
SCHEMBL4488870 0.82 MEN1 (0.43) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4485664 0.80 KDM4E (0.40) CCNCCDK8KDM4EFNTAFNTB
SCHEMBL4495477 0.80 ALDH1A1 (0.42) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL4491745 0.80 AR (0.43) KDM4EALDH1A1MAPTPOLBRAB9A
SCHEMBL4504195 0.77 CCR1 (0.38) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4488653 0.76 ERCC1 (0.38) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL4491753 0.76 POLB (0.35) KDM4EMAPTLMNASMN1; SMN2POLB
SCHEMBL4487479 0.75 ECE1 (0.33) SMN1; SMN2HDAC3HDAC1HDAC6

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed