SCHEMBL7786919

SCHEMBL7786919

Cc1cccc(CCn2nn[nH]c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.52
HRH3 Q9Y5N1 3/20 0.47
TAAR1 Q96RJ0 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.40
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
TDO2 P48775 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL7783554 0.83 DAO (0.52) DAOTAAR1
SCHEMBL11518915 0.82 MAPT (0.46) DAOMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7783960 0.80 DAO (0.55) DAOTAAR1POLBHTTMAOB
SCHEMBL7783987 0.74 DAO (0.50) DAOTAAR1GPR84MEN1KMT2A
SCHEMBL16968231 0.73 DAO (0.57) DAOHRH3TAAR1GPR84MEN1
SCHEMBL15564166 0.73 DAO (0.57) DAOHRH3TAAR1GPR84MEN1
SCHEMBL7785772 0.73 DAO (0.48) DAOTAAR1HTTALDH1A1LMNA
SCHEMBL7979610 0.69 VHL (0.35) MEN1KMT2AALDH1A1
SCHEMBL5905968 0.68 IDO1 (0.49) DAOMEN1KMT2AIDO1HPGD
SCHEMBL5905967 0.68 CYP1A2 (0.48) POLBIDO1TDO2ALDH1A1LMNA

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