SCHEMBL18038554

SCHEMBL18038554

CCOc1cc(F)c(Cl)cc1CC=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.34
HTT P42858 2/20 0.34
FBP1 P09467 1/20 0.34
RORC P51449 1/20 0.33
TACR2 P21452 1/20 0.33
PPOX P50336 1/20 0.33
ERN1 O75460 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1902933 0.84 HTR2A (0.41) LMNAALDH1A1KDM4EMAPTTSHR
SCHEMBL8849136 0.81 PPOX (0.41) LMNAALDH1A1L3MBTL1KDM4EATM
SCHEMBL15995459 0.80 LMNA (0.38) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL21335513 0.78 LMNA (0.51) LMNAALDH1A1L3MBTL1KDM4EHTT
SCHEMBL29082966 0.76 LMNA (0.37) LMNAALDH1A1L3MBTL1ATMHTT
SCHEMBL19088275 0.76 PPOX (0.42) LMNAALDH1A1L3MBTL1KDM4EATM
SCHEMBL1905388 0.74 ERCC1 (0.35) ALDH1A1HTTERN1TSHR
SCHEMBL17423613 0.74 MAPK1 (0.43) LMNAALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL30902343 0.74 CYP1A2 (0.52) LMNAALDH1A1L3MBTL1KDM4EATM
SCHEMBL17423632 0.74 TSHR (0.45) LMNAALDH1A1L3MBTL1ATMTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021158891-A1 SALTS AND SOLID FORMS AND PROCESSES OF PREPARING A PI3K INHIBITOR INCYTE CORPORATION (US) 2021-08-12 WO disclosed
EP-3262046-A1 SALTS OF PI3K INHIBITOR AND PROCESSES FOR THEIR PREPARATION Incyte Corporation (US) 2018-01-03 EP disclosed
WO-2016138363-A1 SALTS OF PI3K INHIBITOR AND PROCESSES FOR THEIR PREPARATION INCYTE CORPORATION (US) 2016-09-01 WO disclosed