SCHEMBL21475552

SCHEMBL21475552

O=S1(=O)N(c2ccccc2)C[C@H](O)[C@]12CCN(Cc1cccc(Cl)c1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DOCK5 Q9H7D0 9/20 1.00
▸ SIGMAR1 Q99720 2/20 0.47
▸ CHRM2 P08172 2/20 0.47
▸ CHRM3 P20309 2/20 0.47
▸ ATM Q13315 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DRD2 P14416 1/20 0.42

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
SCHEMBL21481076 1.00 DOCK5 (1.00) DOCK5SIGMAR1CHRM2CHRM3ATM
SCHEMBL21480987 0.96 DOCK5 (0.92) DOCK5SIGMAR1CHRM2CHRM3ATM
SCHEMBL21481081 0.92 DOCK5 (0.87) DOCK5SIGMAR1L3MBTL1
SCHEMBL21456939 0.92 DOCK5 (0.87) DOCK5SIGMAR1L3MBTL1
SCHEMBL21456937 0.92 DOCK5 (0.87) DOCK5SIGMAR1L3MBTL1
SCHEMBL21456949 0.89 DOCK5 (1.00) DOCK5SIGMAR1CHRM2CHRM3
SCHEMBL21456947 0.89 DOCK5 (1.00) DOCK5SIGMAR1CHRM2CHRM3
SCHEMBL21456951 0.88 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21456953 0.88 DOCK5 (1.00) DOCK5SIGMAR1
SCHEMBL21475550 0.85 DOCK5 (0.74) DOCK5SIGMAR1CHRM2CHRM3KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019197659-A1 NEW INHIBITORS OF BONE RESORPTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-17 — — WO disclosed
EP-3553061-A1 NEW INHIBITORS OF BONE RESORPTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-16 — — EP disclosed
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