SCHEMBL29488908

SCHEMBL29488908

CC(C)(C)[S+]([O-])/N=C/c1cc(Br)ccn1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL30528347 1.00 KDM4E (0.30) KDM4EALDH1A1SMN1; SMN2ALOX15L3MBTL1
SCHEMBL29102821 1.00 KDM4E (0.30) KDM4EALDH1A1SMN1; SMN2ALOX15L3MBTL1
SCHEMBL24386901 1.00 KDM4E (0.30) KDM4EALDH1A1SMN1; SMN2ALOX15L3MBTL1
SCHEMBL29102819 1.00 KDM4E (0.30) KDM4EALDH1A1SMN1; SMN2ALOX15L3MBTL1
SCHEMBL16972297 0.82 KDM4E (0.30) KDM4EALOX15L3MBTL1
SCHEMBL614267 0.82 KDM4E (0.30) KDM4EALOX15L3MBTL1
SCHEMBL614268 0.82 KDM4E (0.30) KDM4EALOX15L3MBTL1
SCHEMBL24529378 0.82 KDM4E (0.30) KDM4EALOX15L3MBTL1
SCHEMBL614269 0.82 KDM4E (0.30) KDM4EALOX15L3MBTL1
SCHEMBL30271817 0.82 KDM4E (0.30) KDM4EALOX15L3MBTL1

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
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 EP disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed