SCHEMBL29337240

SCHEMBL29337240

CCC(=O)c1cc(Br)cnc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ HMGCR P04035 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ OPRK1 P41145 4/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18050754 0.82 HSP90AB1 (0.36) KDM4EHSP90AB1CNR2POLBHCAR2
SCHEMBL27734476 0.82 HSP90AB1 (0.36) KDM4EHSP90AB1CNR2POLBHCAR2
SCHEMBL27836576 0.82 KDR (0.43) KDM4EHSP90AB1HMGCRKMT2AMAPT
SCHEMBL29337246 0.79 OPRK1 (0.43) KDM4EPOLBHCAR2HTTKMT2A
SCHEMBL15527494 0.77 OPRK1 (0.50) POLBKMT2AMAPTSMN1; SMN2GAA
SCHEMBL1505655 0.76 KDM4E (0.45) KDM4EPOLBHCAR2HTTKMT2A
SCHEMBL20872624 0.74 OPRK1 (0.51) KDM4ESMN1; SMN2OPRK1
SCHEMBL8478533 0.73 PLK4 (0.44) CYP3A4
SCHEMBL24852722 0.71 KDM4E (0.38) KDM4EPOLBHCAR2HTTKMT2A
SCHEMBL28110438 0.71 PLAU (0.40) KDM4EPOLBHCAR2HTTKMT2A

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
WO-2024148191-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-07-11 — — WO disclosed
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