SCHEMBL6464062

SCHEMBL6464062

O=C(OCc1ccsc1)c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 2/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
KDM4C Q9H3R0 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL6236586 0.80 TDP1 (0.54) P2RX7NPSR1PKMKMT2ATSHR
SCHEMBL31722590 0.76 P2RX7 (0.51) P2RX7NPSR1KMT2AKDM4ESMN1; SMN2
SCHEMBL29214328 0.75 MMP2 (0.43) P2RX7KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL6647261 0.75 P2RX7 (0.53) P2RX7NPSR1KDM4CKMT2ASMN1; SMN2
SCHEMBL7023320 0.75 NPSR1 (0.42) P2RX7NPSR1PKMRXFP1KMT2A
SCHEMBL7023431 0.73 P2RX7 (0.43) P2RX7NPSR1PKMRXFP1KMT2A
SCHEMBL27846622 0.72 P2RX7 (0.51) P2RX7NPSR1KMT2AKDM4ETSHR
SCHEMBL27798556 0.72 P2RX7 (0.56) P2RX7NPSR1CTNNB1WNT3A
SCHEMBL917137 0.72 CYP1A2 (0.53) P2RX7KMT2AKDM4ETSHRGABRP
SCHEMBL29508230 0.72 CYP1A2 (0.53) P2RX7KMT2AKDM4ETSHRGABRP

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-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed