SCHEMBL8024933

SCHEMBL8024933

CO/N=C(/C(=O)OC)c1cccnc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
HIF1A Q16665 8/20 0.47
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
MAP2K1 Q02750 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.35
CCR9 P51686 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL8022654 0.86 P2RX7 (0.47) P2RX7HIF1ATDP1KDM4ENPC1
SCHEMBL27449778 0.84 LMNA (0.50) HIF1APOLBNPC1HTTL3MBTL1
SCHEMBL8025024 0.81 HIF1A (0.47) P2RX7HIF1ATDP1KDM4EMAP2K1
SCHEMBL27451664 0.81 TRPV1 (0.43) HIF1AKDM4ENPC1ALDH1A1RAB9A
SCHEMBL8024718 0.79 P2RX7 (0.57) P2RX7TDP1KDM4EPOLBMAP2K1
SCHEMBL29883529 0.78 HIF1A (0.51) HIF1APOLBNPC1RAB9AL3MBTL1
SCHEMBL29445316 0.78 HIF1A (0.51) HIF1APOLBNPC1RAB9AL3MBTL1
SCHEMBL6155893 0.78 HIF1A (0.51) HIF1APOLBNPC1RAB9AL3MBTL1
SCHEMBL29810082 0.78 HIF1A (0.51) HIF1APOLBNPC1RAB9AL3MBTL1
SCHEMBL3747106 0.78 HIF1A (0.51) HIF1APOLBNPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876344-B1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AG (DE) 2000-08-23 EP disclosed
EP-0873313-B1 PYRIDYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE BASF AG (DE) 2000-03-15 EP disclosed
EP-0876344-A1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
EP-0873313-A1 PYRIDYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1997017328-A1 PYRIDYLACETIC ACID DERIVATIVES, METHOD AND INTERMEDIATE PRODUCTS FOR PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-05-15 WO disclosed
WO-1997016427-A1 PYRIDYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed