SCHEMBL30161375

SCHEMBL30161375

O=S(=O)(Nc1ccc(F)c(I)c1F)c1cccc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 3/20 0.58
SLC22A12 Q96S37 1/20 0.42
CCR2 P41597 4/20 0.42
SGK1 O00141 1/20 0.41
ACLY P53396 2/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
SLC40A1 Q9NP59 2/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL25450244 1.00 PTGES2 (0.58) PTGES2SLC22A12CCR2SGK1ACLY
SCHEMBL25450381 0.87 PTGES2 (0.59) PTGES2CCR2ACLYSLC40A1BRAF
SCHEMBL30216061 0.79 PKLR (0.47) SLC40A1POLBKMT2AKDM4E
SCHEMBL25450327 0.79 PKLR (0.47) SLC40A1POLBKMT2AKDM4E
SCHEMBL30161625 0.79 PTGES2 (0.50) PTGES2CCR2SGK1ACLYPOLB
SCHEMBL25449978 0.79 PTGES2 (0.50) PTGES2CCR2SGK1ACLYPOLB
SCHEMBL30216035 0.77 PRKD3 (0.52) ACLYSLC40A1KMT2AKDM4E
SCHEMBL25450405 0.77 GUSB (0.49) CCR2ACLYPIK3CDPIK3CAPIK3CB
SCHEMBL25450184 0.77 BRAF (0.49) KMT2ABRAF
SCHEMBL30161469 0.77 GUSB (0.49) CCR2ACLYPIK3CDPIK3CAPIK3CB

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-115768750-A GCN2 modulator compounds 阿莱斯塔治疗公司 2023-03-07 CN disclosed
EP-4107146-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2022-12-28 EP disclosed