SCHEMBL29136114

SCHEMBL29136114

O=S(=O)(O)C(CO)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.38
CYP1A2 P05177 1/20 0.37
SRC P12931 2/20 0.36
MMP2 P08253 2/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 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
SCHEMBL3140883 0.82 CYP1A2 (0.40) PLCG1CYP1A2MMP2MMP1MMP9
SCHEMBL3129668 0.79 FPR2 (0.41) CYP1A2MMP2CA2CA1MMP9
SCHEMBL5159231 0.79 SRC (0.55) SRCKMT2A
SCHEMBL27446921 0.78 SRC (0.53) SRCKMT2A
SCHEMBL28726302 0.74 RPLP1 (0.50) MMP2CA2CA1MMP1MMP9
SCHEMBL5049918 0.72 EGFR (0.45) KMT2A
SCHEMBL3134984 0.71 CYP1A2 (0.44) CYP1A2MMP2CA2CA1MMP1
SCHEMBL3616092 0.71 CYP1A2 (0.39) PLCG1CYP1A2SRCMMP2CA2
SCHEMBL6676227 0.70 KMT2A (0.50) SRCKMT2A
SCHEMBL31135530 0.69 KMT2A (0.54) CYP1A2KMT2AHTR2A

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-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed