SCHEMBL31339552

SCHEMBL31339552

COC(=O)COc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1191026 1.00 PTGS2 (0.40) PTGS2MAPTGAAPDGFRBFGFR1
SCHEMBL751950 0.87 LMNA (0.41) MAPTGAALMNATSHRSMN1; SMN2
SCHEMBL30046816 0.87 LMNA (0.41) MAPTGAALMNATSHRSMN1; SMN2
SCHEMBL2685199 0.86 AAK1 (0.41) MAPTGAALMNASMN1; SMN2CYP1A2
SCHEMBL1190428 0.85 SMN1; SMN2 (0.46) PTGS2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL2686001 0.85 MEN1 (0.43) MAPTSMN1; SMN2CYP1A2ALDH1A1NPC1
SCHEMBL2685997 0.85 MEN1 (0.43) MAPTSMN1; SMN2CYP1A2ALDH1A1NPC1
SCHEMBL1191402 0.84 PTGS2 (0.40) PTGS2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL5309167 0.83 MAPT (0.51) PTGS2MAPTPDGFRBFGFR1PDGFRA
SCHEMBL15889718 0.83 MAPT (0.40) PTGS2MAPTGAAPDGFRBFGFR1

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
CN-119110803-A Novel bicyclic substituted sulfonylurea compounds as inhibitors of interleukin-1 activity 唯久生物技术(苏州)有限公司 2024-12-10 CN disclosed