SCHEMBL25356465

SCHEMBL25356465

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](Oc2ccc(Br)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ EPHX2 P34913 2/20 0.32
▸ PREP P48147 1/20 0.32
▸ SLC6A2 P23975 3/20 0.31
▸ SLC6A4 P31645 3/20 0.31
▸ SLC6A3 Q01959 3/20 0.31
▸ VHL P40337 1/20 0.31
▸ ELOC Q15369 1/20 0.31
▸ ELOB Q15370 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CA12 O43570 4/20 0.31
▸ CA1 P00915 4/20 0.31
▸ CA9 Q16790 4/20 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
SCHEMBL25356462 1.00 KDM4E (0.33) KDM4EALDH1A1EPHX2PREPSLC6A2
SCHEMBL3393951 0.79 KDM1A (0.34) SLC6A4SLC6A3VHLELOCELOB
SCHEMBL25646277 0.78 CARM1 (0.41) KDM4EALDH1A1EPHX2MAPT
SCHEMBL19643519 0.77 AR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL19643521 0.77 AR (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL5390652 0.74 NAAA (0.40) EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL5390650 0.74 NAAA (0.40) EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL18042524 0.73 — —
SCHEMBL18042525 0.73 — —
SCHEMBL5381573 0.72 FURIN (0.40) EPHX2SLC6A2SLC6A4SLC6A3

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-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 — — WO disclosed
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