SCHEMBL8946534

SCHEMBL8946534

CCOc1ncc(C(=O)O)c(-c2ccccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
KMT2A Q03164 2/20 0.43
DHODH Q02127 4/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EIF4E P06730 1/20 0.42
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
KLK7 P49862 1/20 0.39
KLK14 Q9P0G3 1/20 0.39
KLK5 Q9Y337 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
ABL1 P00519 1/20 0.39

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
SCHEMBL6016572 0.84 MAPK14 (0.48) KMT2ADHODHALDH1A1KDM4ESMN1; SMN2
SCHEMBL6016402 0.83 MAPK14 (0.43) KMT2ADHODHL3MBTL1CNR1ALDH1A1
Dimethylaminoethanol SCHEMBL6016528 0.81 MAPK14 (0.46) KMT2ADHODHALDH1A1KDM4ESMN1; SMN2
SCHEMBL1016143 0.80 KMT2A (0.58) KMT2ADHODHMAPTL3MBTL1CNR1
SCHEMBL5189312 0.79 CNR1 (0.48) KMT2ADHODHL3MBTL1CNR1ALDH1A1
SCHEMBL3442751 0.79 ALDH1A1 (0.52) KMT2ADHODHMAPTALDH1A1KDM4E
SCHEMBL27886811 0.79 CNR1 (0.43) KMT2ADHODHL3MBTL1CNR1ALDH1A1
SCHEMBL8946526 0.77 KMT2A (0.46) KMT2ADHODHL3MBTL1CNR1ALDH1A1
SCHEMBL4111269 0.77 MKNK1 (0.51) KMT2AMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL27471423 0.77 CNR1 (0.41) KMT2ADHODHL3MBTL1CNR1ALDH1A1

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
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed