SCHEMBL30261908

SCHEMBL30261908

COC(OC)[C@]1(COc2ccccc2S(N)(=O)=O)CCCc2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ PTGES2 Q9H7Z7 6/20 0.34
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ APP P05067 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL26731640 0.83 CA1 (0.35) KDM1ASIGMAR1PSEN1PSEN2APH1B
SCHEMBL30261916 0.81 VCAM1 (0.36) KDM1ALMNAMAPT
SCHEMBL21930412 0.81 VCAM1 (0.36) KDM1ALMNAMAPT
SCHEMBL23442624 0.76 KDM1A (0.39) KDM1AMAPT
SCHEMBL23442629 0.75 USP2 (0.38) KDM1ASIGMAR1LMNAMAPT
SCHEMBL23669600 0.75 KDM4C (0.40) KDM1ASIGMAR1
SCHEMBL23442105 0.74 KDM1A (0.39) KDM1ASIGMAR1
SCHEMBL23670689 0.74 KDM4C (0.37) KDM1ASIGMAR1TSHR
SCHEMBL23671128 0.74 KDM4C (0.37) KDM1ASIGMAR1
SCHEMBL23480816 0.74 KDM1A (0.38) KDM1ASIGMAR1

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
EP-4149947-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN Prelude Therapeutics, Incorporated (US) 2023-03-22 — — EP disclosed
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