SCHEMBL25948660

SCHEMBL25948660

CC(C)Cc1cc(Br)c(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
GPR35 Q9HC97 7/20 0.38
PTPRF P10586 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
GSK3B P49841 1/20 0.36
FEN1 P39748 1/20 0.36
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL22833101 0.80 DAO (0.43) ALDH1A1GPR35GSK3BTSHRMAPT
SCHEMBL861808 0.76 GPR35 (0.38) GPR35GSK3BTSHRCYP2C9
SCHEMBL16901854 0.70 ALDH1A1 (0.30) ALDH1A1HPGD
SCHEMBL3780362 0.70 GPR35 (0.48) ALDH1A1GPR35GSK3BMAPTLMNA
SCHEMBL18067936 0.69 USP2 (0.41) ALDH1A1HPGDL3MBTL1LMNA
SCHEMBL15878596 0.69 GSK3B (0.61) GPR35GSK3BPOLBAKR1C3
SCHEMBL17227588 0.68 RAF1 (0.42) ALDH1A1HPGDGSK3BFEN1TSHR
SCHEMBL27708565 0.68 AGTR2 (0.31)
SCHEMBL31261454 0.67 MME (0.38) ALDH1A1HPGD
SCHEMBL31261458 0.67 MME (0.38) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133271-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-07-13 WO disclosed