SCHEMBL8845822

SCHEMBL8845822

O=C(O)c1cc(F)c(Cl)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL26931188 0.92 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2LCKFYN
SCHEMBL2109571 0.84 KEAP1 (0.48) KEAP1NFE2L2SMN1; SMN2CA12CA1
SCHEMBL31586627 0.83 KEAP1 (0.55) KEAP1NFE2L2SMN1; SMN2TSHRHSD17B10
SCHEMBL500029 0.83 SMN1; SMN2 (0.50) KEAP1NFE2L2SMN1; SMN2LCKFYN
SCHEMBL3366164 0.83 LCK (0.50) SMN1; SMN2LCKFYNCA12CA1
SCHEMBL3339250 0.82 DGAT1 (0.47) KEAP1NFE2L2CA12CA1CA2
SCHEMBL31430795 0.81 SMN1; SMN2 (0.48) KEAP1NFE2L2SMN1; SMN2LCKFYN
SCHEMBL27575950 0.81 CA12 (0.52) KEAP1NFE2L2SMN1; SMN2LCKFYN
SCHEMBL6860298 0.81 SMN1; SMN2 (0.48) KEAP1NFE2L2SMN1; SMN2LCKFYN
SCHEMBL221449 0.81 KEAP1 (0.53) KEAP1NFE2L2SMN1; SMN2CA12CA1

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-2025103502-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN INC. (US) 2025-05-22 WO disclosed
EP-0600317-B1 Process for the preparation of halogenated benzoic acids HOECHST AG (DE) 1997-03-12 EP disclosed
US-5481032-A Process for the preparation of halogenated benzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
EP-0600317-A1 Process for the preparation of halogenated benzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-08 EP disclosed