SCHEMBL8963480

SCHEMBL8963480

O=c1c(OC(F)F)ccnn1Cc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP11B1 P15538 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP11B2 P19099 1/20 0.39
XDH P47989 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL27252464 0.75 NPBWR1 (0.54)
SCHEMBL27751967 0.71 MEN1 (0.43) IDO1TDO2MEN1KMT2ACYP11B1
SCHEMBL4260164 0.71 CYP19A1 (0.48) IDO1TDO2MEN1KMT2AXDH
SCHEMBL27619303 0.71 HTT (0.54) IDO1TDO2MEN1KMT2ACYP11B1
SCHEMBL25180540 0.71 ROCK2 (0.51) KMT2AALDH1A1GRIN1GRIN2BTDP1
SCHEMBL30375232 0.71 ROCK2 (0.51) KMT2AALDH1A1GRIN1GRIN2BTDP1
SCHEMBL8963468 0.67 NPBWR1 (0.47) ALDH1A1LMNAHTTNPSR1MAPK1
SCHEMBL8221577 0.67 TP53 (0.38) IDO1TDO2MEN1KMT2ALMNA
SCHEMBL27751759 0.66 CYP19A1 (0.41) IDO1TDO2MEN1KMT2AXDH
SCHEMBL16347136 0.65 CYP11B1 (0.41) IDO1TDO2MEN1KMT2ACYP11B1

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
JP-8198855-A None JP disclosed
JP-H08198855-A PYRIDAZINONE DERIVATIVE AND VERMIN CONTROLLING AGENT NISSAN CHEM IND LTD 1996-08-06 JP disclosed