SCHEMBL7783987

SCHEMBL7783987

Cc1ccccc1CCn1nn[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.50
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.37
CES2 O00748 1/20 0.36
LMNA P02545 2/20 0.36
KDM4A O75164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
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 0.78 MAPT (0.46) DAOMEN1KMT2ASMN1; SMN2GAA
SCHEMBL15564287 0.74 DAO (0.51) DAOTAAR1IDO1TDO2PTGS1
SCHEMBL15564051 0.72 DAO (0.57) DAOARALDH1A1HPGDTAAR1
SCHEMBL16968259 0.71 DAO (0.56) DAOARALDH1A1HPGDTAAR1
SCHEMBL5906372 0.69
SCHEMBL7783590 0.69 DAO (0.40) DAOTAAR1
SCHEMBL7783554 0.68 DAO (0.52) DAOTAAR1HSD17B10
SCHEMBL16963974 0.68 P2RX7 (0.33) ALDH1A1IDO1TDO2MAPT
SCHEMBL7979610 0.68 VHL (0.35) ALDH1A1MEN1KMT2A
SCHEMBL5905968 0.67 IDO1 (0.49) DAOALDH1A1HPGDIDO1TDO2

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