SCHEMBL7017659

SCHEMBL7017659

O=C(OCc1cnon1)c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.34
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NAMPT P43490 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
GRM4 Q14833 1/20 0.33
TBXA2R P21731 2/20 0.32
TSHR P16473 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL7023431 0.75 P2RX7 (0.43) P2RX7POLBCTNNB1WNT3ARXFP1
SCHEMBL917137 0.75 CYP1A2 (0.53) P2RX7CTNNB1WNT3ANAMPTKMT2A
SCHEMBL29508230 0.75 CYP1A2 (0.53) P2RX7CTNNB1WNT3ANAMPTKMT2A
Hydrochloric Acid SCHEMBL27922723 0.73 CYP1A2 (0.51) P2RX7CTNNB1WNT3ANAMPTKMT2A
SCHEMBL6236586 0.73 TDP1 (0.54) P2RX7POLBTDP1KMT2ANPSR1
SCHEMBL27283920 0.72 P2RX7 (0.49) P2RX7CTNNB1WNT3ATDP1TBXA2R
SCHEMBL7023361 0.71 P2RX7 (0.45) P2RX7POLBCTNNB1WNT3ANAMPT
SCHEMBL27846622 0.71 P2RX7 (0.51) P2RX7POLBCTNNB1WNT3ANAMPT
SCHEMBL27798556 0.71 P2RX7 (0.56) P2RX7CTNNB1WNT3ANPSR1GRM4
SCHEMBL31722590 0.71 P2RX7 (0.51) P2RX7CTNNB1WNT3ANAMPTKMT2A

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-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed