SCHEMBL4862699

SCHEMBL4862699

CCOC(=O)CCc1nc(Cl)c(C#N)c(CC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
HSD17B10 Q99714 5/20 0.45
TSHR P16473 2/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
STAT6 P42226 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.35
BRCA1 P38398 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.34
SQOR Q9Y6N5 1/20 0.34

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
SCHEMBL4990197 0.83 KDM4E (0.39) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL4993273 0.80 HTT (0.41) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL29231745 0.74 MAPT (0.43) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL4990517 0.73 HPGD (0.43) ALDH1A1TSHRKDM4EHPGDCYP2C9
SCHEMBL7959256 0.70 GLA (0.34) ALDH1A1KDM4EHPGDKMT2AGLA
SCHEMBL3591480 0.69 POLB (0.38) ALDH1A1HSD17B10KDM4EHPGDKMT2A
SCHEMBL29658525 0.69 HTT (0.56) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL19717030 0.69 HTT (0.56) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL4740375 0.68 KDM4E (0.51) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL19717463 0.65 HTT (0.49) ALDH1A1HSD17B10KDM4EHPGDCYP2C19

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-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed