SCHEMBL25418263

SCHEMBL25418263

Cc1ccc(S(=O)(=O)OCOC(=O)N2CCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL22118707 0.97 ALDH1A1 (0.52) KMT2AALDH1A1HSD17B10NPSR1MAPK1
SCHEMBL16759629 0.96 ALDH1A1 (0.55) KMT2AALDH1A1HSD17B10NPSR1MAPK1
SCHEMBL26672168 0.88 CYP1A2 (0.55) KMT2AALDH1A1HSD17B10L3MBTL1TSHR
SCHEMBL30291039 0.80 APP (0.46) ALDH1A1HSD17B10NPSR1TSHRKDM4E
SCHEMBL28173887 0.79 STAT3 (0.47) KMT2AALDH1A1HSD17B10MAPK1MEN1
SCHEMBL28693175 0.78 ALDH1A1 (0.56) KMT2AALDH1A1HSD17B10NPSR1TP53
SCHEMBL29223529 0.77 KMT2A (0.44) KMT2AALDH1A1HSD17B10NPSR1MAPK1
SCHEMBL31633655 0.77 ALDH1A1 (0.51) KMT2AALDH1A1HSD17B10NPSR1TP53
SCHEMBL10385453 0.76 ALDH1A1 (0.58) KMT2AALDH1A1NPSR1MAPK1TP53
SCHEMBL3315459 0.76 GAA (0.52) KMT2AALDH1A1TSHRPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
WO-2023226658-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC DERIVATIVES AS CHECKPOINT KINASE 1 INHIBITOR AND USES THEREOF SPEROGENIX THERAPEUTICS LIMITED (CN) 2023-11-30 WO disclosed
EP-4181909-A2 BISPECIFIC ANTAGONISTS OF RETINOL-BINDING PROTEIN 4 THAT STABILIZE TRANSTHYRETIN TETRAMERS, THEIR PREPARATION, AND USE IN THE TREATMENT OF COMMON AGE-RELATED COMORBIDITIES The Trustees Of Columbia University In The City Of New York (US) 2023-05-24 EP disclosed
WO-2022266258-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF IRAK-4 ARVINAS OPERATIONS, INC. (US) 2022-12-22 WO disclosed
WO-2022165530-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 WO disclosed