SCHEMBL27693258

SCHEMBL27693258

CC(=O)Oc1c(C)ccnc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 3/20 0.40
PTPN1 P18031 2/20 0.37
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
ELANE P08246 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.33
PREP P48147 2/20 0.33
CELA1 Q9UNI1 1/20 0.33
POLB P06746 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
SCHEMBL27675261 0.77 HSD17B10 (0.35) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL17706563 0.75 KDM4E (0.45) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL16741102 0.72 KDM4E (0.47) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL27693260 0.71 HTT (0.43) HSD17B10KDM4EHPGDHTTMAPT
SCHEMBL16265058 0.70 KDM4E (0.59) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL8685294 0.70 KDM4E (0.41) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL8685106 0.70 ALDH1A1 (0.41) HSD17B10KDM4EALDH1A1HPGDHTT
SCHEMBL28257885 0.69 NOS2 (0.46) HSD17B10KDM4EHTTMAPTLMNA
SCHEMBL27832795 0.69 ALDH1A1 (0.44) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL25405415 0.68 LMNA (0.43) HSD17B10KDM4EHTTGAAMAPT

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
CN-88100828-A Substituted 2, 6-substituted pyridine compounds 1988-08-24 CN disclosed