SCHEMBL7786924

SCHEMBL7786924

Cc1ccc(CCn2nn[nH]c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.48
HRH3 Q9Y5N1 3/20 0.41
NOTUM Q6P988 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GRM2 Q14416 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PTGS2 P35354 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL11518915 0.83 MAPT (0.46) DAOSMN1; SMN2MAPT
SCHEMBL7783961 0.75 CYP19A1 (0.43) DAOMAPT
SCHEMBL7783987 0.75 DAO (0.50) DAOSMN1; SMN2TAAR1PTGS2MAPT
SCHEMBL7783554 0.73 DAO (0.52) DAOGRM2TAAR1
SCHEMBL5906372 0.71
SCHEMBL7783960 0.70 DAO (0.55) DAOTAAR1
SCHEMBL15563972 0.70 DAO (0.54) DAOHRH3
SCHEMBL16968224 0.70 DAO (0.54) DAOHRH3
SCHEMBL13315556 0.68 TOP2A (0.37) GRM2TP53MAPT
SCHEMBL7783967 0.68 DAO (0.33) DAO

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-1144392-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-17 EP disclosed
WO-2000040568-A1 NOVEL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-07-13 WO disclosed