SCHEMBL3886141

SCHEMBL3886141

CCOCc1ccncc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 16/20 0.44
KDM6B O15054 6/20 0.44
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4A O75164 2/20 0.42
KDM4D Q6B0I6 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL4608339 0.83 KDM4C (0.45) KDM4CKDM6BKDM4ETDP1KDM4A
SCHEMBL30465694 0.83 KDM4C (0.51) KDM4CKDM6BKDM4ETDP1KDM4A
SCHEMBL123203 0.83 KDM4C (0.51) KDM4CKDM6BKDM4ETDP1KDM4A
SCHEMBL9694347 0.81 ALDH1A1 (0.43) KDM4CKDM6BKDM4ETDP1KDM4A
Acetic Acid SCHEMBL16666943 0.80 KDM4C (0.49) KDM4CKDM6BKDM4ETDP1KDM4A
SCHEMBL258369 0.78 KDM4C (0.51) KDM4CKDM6BKDM4ETDP1KDM4A
Hydrochloric Acid SCHEMBL5739434 0.77 KDM4C (0.50) KDM4CKDM6BKDM4ETDP1KDM4A
SCHEMBL12164265 0.76 KDM4E (0.55) KDM4ETDP1MEN1ALDH1A1KMT2A
SCHEMBL3880004 0.75 KDM4C (0.50) KDM4CKDM6BKDM4ETDP1KDM4A
SCHEMBL4005290 0.75 GABRP (0.55) KDM4CKDM6BKDM4ETDP1KDM4A

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
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed