SCHEMBL28145223

SCHEMBL28145223

O=C(NCc1cc[c]cc1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 2/20 0.54
▸ PPARA Q07869 14/20 0.48
▸ PPARD Q03181 13/20 0.48
▸ PPARG P37231 12/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ MLYCD O95822 1/20 0.45

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
SCHEMBL28146169 0.90 SORT1 (0.54) SORT1PPARAPPARDPPARGMLYCD
SCHEMBL28145229 0.86 SORT1 (0.53) SORT1PPARAPPARDPPARGNR1H4
SCHEMBL28146165 0.83 KMT2A (0.48) PPARG
SCHEMBL28145221 0.83 LMNA (0.61) SORT1MLYCD
SCHEMBL17339230 0.82 SORT1 (0.52) SORT1PPARAPPARDPPARGEPHX2
SCHEMBL6544791 0.81 SORT1 (0.56) SORT1PPARAPPARDPPARGEPHX2
SCHEMBL28145224 0.80 LSS (0.63) PPARAPPARGEPHX2NR1H4MLYCD
SCHEMBL28146179 0.79 CNR2 (0.45) SORT1PPARGEPHX2
SCHEMBL25376744 0.78 CLPP (0.52) SORT1PPARAPPARDPPARGMLYCD
SCHEMBL28328407 0.78 MLYCD (0.58) MLYCD

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-106661035-B The Pyrazolopyrimidine derivative of inhibitor as bruton's tyrosine kinase 洛克索肿瘤学股份有限公司 2019-11-19 — — CN disclosed
CN-106661035-A Pyrazolopyrimidine derivatives as inhibitors of bruton's tyrosine kinase 莱德克斯制药公共有限公司 2017-05-10 — — CN disclosed
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