SCHEMBL7699003

SCHEMBL7699003

Cc1c[nH]c(=O)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.44
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL15639192 0.83 AR (0.44) ARPIK3R1PIK3CANOTUMALDH1A1
SCHEMBL10671983 0.80 PIK3R1 (0.41) ARPIK3R1PIK3CANOTUM
SCHEMBL24018711 0.78 PIK3R1 (0.38) ARPIK3R1PIK3CAALDH1A1KDM4E
SCHEMBL7694139 0.75 ADRA1A (0.50) ARPIK3R1PIK3CANOTUMALDH1A1
SCHEMBL9730660 0.75 PIK3R1 (0.38) ARPIK3R1PIK3CANOTUMALDH1A1
SCHEMBL20906997 0.75 NOTUM (0.41) ARPIK3R1PIK3CANOTUMPDE3B
SCHEMBL791112 0.72
SCHEMBL18081712 0.71
SCHEMBL20606230 0.71 CFTR (0.48) NOTUM
SCHEMBL29725973 0.71 RET (0.41) ARPIK3R1PIK3CAALDH1A1KDM4E

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
WO-2024050016-A1 COMPOSITIONS AND METHODS FOR TARGETED INHIBITION AND DEGRADATION OF PROTEINS IN AN INSECT CELL OERTH BIO LLC (US) 2024-03-07 WO disclosed
EP-3423451-B1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING PROPELLON THERAPEUTICS INC (CA) 2022-08-17 EP disclosed
WO-2019046944-A1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING Propellon Therapeutics Inc. (CA) 2019-03-14 WO disclosed
WO-2002020487-A1 SUBSTITUTED 1-ARYL-PYRIDIN-2-(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed