SCHEMBL30970538

SCHEMBL30970538

[2H]C([2H])(O)c1cc(Br)ccc1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
ALOX15 P16050 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL31474187 0.88 PTGDR2 (0.35) PTGDR2TSHRGFERALOX15ALDH1A1
SCHEMBL1574764 0.83 PTGDR2 (0.44) PTGDR2TSHRGFERALOX15ALDH1A1
SCHEMBL30655359 0.80 PTGDR2 (0.38) PTGDR2TSHRGFERALOX15ALDH1A1
SCHEMBL3366223 0.79 CHEK1 (0.38) PTGDR2TSHRGFERALOX15ALDH1A1
Alcohol SCHEMBL5043640 0.78 PTGDR2 (0.41) PTGDR2TSHRGFERALDH1A1KDM4E
SCHEMBL30087221 0.76 CYP2A6 (0.32) PTGDR2TSHRGFERALOX15ALDH1A1
SCHEMBL2556376 0.76 CYP2A6 (0.32) PTGDR2TSHRGFERALOX15ALDH1A1
SCHEMBL12097459 0.74 CCR5 (0.31) PTGDR2TSHRGFERALOX15
SCHEMBL9939277 0.74 CYP2A6 (0.44) TSHRGFERALDH1A1KDM4EMEN1
SCHEMBL31088263 0.74 SMN1; SMN2 (0.40) PTGDR2TSHRALDH1A1HTTKDM4E

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
WO-2025060978-A1 TRICYCLIC PYRIDINE COMPOUND ACTING AS SARM1 ENZYME ACTIVITY INHIBITOR, AND USE THEREOF 科辉智药(深圳)新药研究中心有限公司 2025-03-27 WO disclosed
WO-2024140968-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 WO disclosed