SCHEMBL29410751

SCHEMBL29410751

COC(=O)Cc1cc(F)cc(CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.53
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
SLC7A5 Q01650 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PSEN1 P49768 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
SCHEMBL27001280 1.00 HSP90AB1 (0.53) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL14115300 0.91 HSP90AB1 (0.62) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL1115348 0.87 HSP90AB1 (0.62) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL14420085 0.84 HSP90AB1 (0.55) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL1559919 0.83 HSP90AB1 (0.53) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL27001282 0.83 HSP90AB1 (0.53) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL26731080 0.81 HSP90AB1 (0.51) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL21891794 0.81 HSP90AB1 (0.75) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL25460742 0.81 HSP90AB1 (0.55) HSP90AB1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL30415830 0.81 HSP90AB1 (0.55) HSP90AB1CYP4F2CYP4A11GAAALDH1A1

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
EP-4208452-A1 QUINOLINE CGAS ANTAGONIST COMPOUNDS Immunesensor Therapeutics, Inc. (US) 2023-07-12 EP disclosed
WO-2022051634-A1 QUINOLINE CGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2022-03-10 WO disclosed