SCHEMBL29143124

SCHEMBL29143124

CC(OCC(=O)O)c1ccc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PTGDR2 Q9Y5Y4 7/20 0.39
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ S1PR2 O95136 2/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL29876470 1.00 KDM4E (0.41) KDM4EALDH1A1PTGDR2TSHRSMN1; SMN2
SCHEMBL29143120 1.00 KDM4E (0.41) KDM4EALDH1A1PTGDR2TSHRSMN1; SMN2
SCHEMBL29876419 0.82 KDM4E (0.39) KDM4EALDH1A1PTGDR2TSHRS1PR2
SCHEMBL17364436 0.79 GBA1 (0.41) KDM4EALDH1A1SMN1; SMN2S1PR4S1PR3
SCHEMBL29143122 0.78 ALDH1A1 (0.38) KDM4EALDH1A1PTGDR2TSHRS1PR2
SCHEMBL29876589 0.78 ALDH1A1 (0.38) KDM4EALDH1A1PTGDR2TSHRS1PR2
SCHEMBL29143112 0.78 GBA1 (0.34) KDM4EALDH1A1S1PR4S1PR3RAB9A
SCHEMBL29143113 0.78 GBA1 (0.34) KDM4EALDH1A1S1PR4S1PR3RAB9A
SCHEMBL29876357 0.78 GBA1 (0.34) KDM4EALDH1A1S1PR4S1PR3RAB9A
SCHEMBL22587389 0.75 KDM4E (0.40) KDM4EALDH1A1S1PR2S1PR4S1PR3

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-117412972-A Selective modulators of Ataxia Telangiectasia Mutated (ATM) kinase and uses thereof 苏州赞荣医药科技有限公司 2024-01-16 — — CN disclosed
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