SCHEMBL8024718

SCHEMBL8024718

COC(=O)C(=O)c1cccnc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.57
KDM4E B2RXH2 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAP2K1 Q02750 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1248162 0.81 P2RX7 (0.66) P2RX7KDM4ETDP1MAP2K1POLB
SCHEMBL27819878 0.81 P2RX7 (0.66) P2RX7KDM4ETDP1MAP2K1POLB
SCHEMBL7465180 0.81 SMN1; SMN2 (0.58) TDP1POLBRAB9ANPC1HTT
SCHEMBL9487126 0.80 P2RX7 (0.51) P2RX7KDM4ETDP1MAP2K1POLB
Methyl Alcohol SCHEMBL27938435 0.80 P2RX7 (0.64) P2RX7KDM4ETDP1MAP2K1POLB
SCHEMBL8022308 0.79 P2RX7 (0.58) P2RX7KDM4ETDP1POLBRAB9A
SCHEMBL8024933 0.79 P2RX7 (0.50) P2RX7KDM4ETDP1MAP2K1POLB
SCHEMBL9486140 0.79 P2RX7 (0.50) P2RX7KDM4ETDP1MAP2K1POLB
SCHEMBL4414277 0.77 P2RX7 (0.70) P2RX7KDM4ETDP1RAB9AALDH1A1
SCHEMBL11078263 0.77 P2RX7 (0.63) P2RX7KDM4ETDP1RAB9AALDH1A1

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 7 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 claimed
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