SCHEMBL28286644

SCHEMBL28286644

Nc1ccc(Oc2cccc3ccccc23)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
SUCNR1 Q9BXA5 1/20 0.40
BACE1 P56817 1/20 0.39
MAOA P21397 1/20 0.38
SLC6A4 P31645 2/20 0.38
ESRRA P11474 1/20 0.38
HTR1B P28222 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SCN9A Q15858 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
SCHEMBL30072938 0.86 SUCNR1 (0.46) MAPK8MAPK10HTTGLAPOLB
SCHEMBL29618172 0.86 TSHR (0.52) HPGDGLAPOLBGAATSHR
SCHEMBL8766226 0.86 TSHR (0.52) HPGDGLAPOLBGAATSHR
SCHEMBL649658 0.86 TSHR (0.52) HPGDGLAPOLBGAATSHR
SCHEMBL28125465 0.84 GAA (0.47) HPGDHTTGLAPOLBGAA
SCHEMBL436804 0.82 GAA (0.59) HPGDGLAPOLBGAATSHR
SCHEMBL29404322 0.82 GAA (0.59) HPGDGLAPOLBGAATSHR
SCHEMBL17783721 0.82 LTA4H (0.41) MAPK8MAPK10HPGDHTTPOLB
SCHEMBL31402349 0.81 TSHR (0.52) GLAPOLBGAATSHRBACE1
SCHEMBL29510560 0.81 TSHR (0.47) GLAPOLBGAATSHRMAOA

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
CN-109651208-B N-aryl sulfonamide compound, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-01-04 CN disclosed
CN-109651208-A N- arylsulfonamides compound, medical composition and its use 中国科学院上海药物研究所 2019-04-19 CN disclosed