SCHEMBL5826258

SCHEMBL5826258

Cc1ccc(C(=O)Oc2ccccc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
LMNA P02545 4/20 0.59
KMT2A Q03164 9/20 0.57
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PARP10 Q53GL7 1/20 0.47
NSD2 O96028 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL21050084 0.83 KMT2A (0.67) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL13641132 0.81 KMT2A (0.56) MAPTLMNAKMT2A
SCHEMBL69845 0.81 MAPK1 (0.54) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL4813056 0.80 NAPRT (0.58) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL8706676 0.79 MAPT (0.65) MAPTKMT2AALDH1A1MEN1
SCHEMBL70034 0.78 PARP10 (0.70) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL30574349 0.77 MAPK1 (0.67) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL104409 0.77 PARP10 (0.59) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL64763 0.77 MAPK1 (0.67) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL14570018 0.77 KMT2A (0.71) MAPTKMT2AALDH1A1MEN1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006342150-A 6-METHYLNICOTINIC ACID PHENYL ESTER AND METHOD FOR PRODUCING THE SAME SUMITOMO SEIKA CHEM CO LTD 2006-12-21 JP disclosed
WO-2006080256-A1 PROCESSES FOR PRODUCING 1-(6-METHYLPYRIDIN-3-YL)-2-[4­(METHYLSULFONYL)PHENYL]ETHANONE AND INTERMEDIATE FOR PRODUCTION SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-08-03 WO disclosed