SCHEMBL29177201

SCHEMBL29177201

C=C(O[Si](C)(C)C)c1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ADORA3 P0DMS8 3/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ BACE1 P56817 4/20 0.32
▸ APP P05067 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL3206948 0.75 KDM4E (0.55) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL7602003 0.72 BACE1 (0.47) KDM4EALDH1A1BACE1RAB9A
SCHEMBL25887219 0.71 ALDH1A1 (0.55) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL13657496 0.70 KDM4E (0.44) KDM4EADORA3TSHRNPC1RAB9A
SCHEMBL18463885 0.70 KDM4E (0.50) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL18683294 0.69 DGAT1 (0.35) ALDH1A1NPC1RAB9A
SCHEMBL471438 0.67 ALDH1A1 (0.67) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL25255100 0.67 ALDH1A1 (0.50) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL109364 0.67 MAPK1 (0.65) KDM4EALDH1A1TSHRNPC1RAB9A
SCHEMBL25395396 0.67 KDM4E (0.50) KDM4EALDH1A1ADRA2AADRA2BADRA2C

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-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 — — CN disclosed
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