SCHEMBL11212937

SCHEMBL11212937

O=C(c1ccccc1OC(F)F)c1ccccc1OC(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.49
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
ELANE P08246 1/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 2/20 0.45
CYP11B1 P15538 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL5073351 0.89 MAPT (0.54) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30668163 0.89 MAPT (0.54) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL975946 0.86 KDM4E (0.55) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1655964 0.84 IRAK4 (0.68) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1286684 0.84 IRAK4 (0.53) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29930602 0.84 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2301384 0.84 ALDH1A1 (0.48) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4654255 0.82 DRD1 (0.48) HTTALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL12438201 0.81 SMN1; SMN2 (0.50) HTTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL22717478 0.81 DRD1 (0.45) HTTALDH1A1SMN1; SMN2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58008035-A None JP disclosed
CN-105814060-B Imidazo-triazine derivative as TNF active regulators UCB生物制药私人有限公司 2018-02-13 CN disclosed
CN-105814061-B Imidazopyridazine derivative as TNF active regulators UCB生物制药私人有限公司 2018-01-26 CN disclosed
JP-S588035-A DIFLUOROMETHOXYPHENYL KETONE DERIVATIVE AND ITS PREPARATION NISSAN CHEM IND LTD 1983-01-18 JP disclosed