SCHEMBL23784644

SCHEMBL23784644

O=C1N[C@@H](C(C(=O)O)C(=O)O)c2ccc(I)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.36
CES1 P23141 1/20 0.36
MDM2 Q00987 12/20 0.34
TP53 P04637 11/20 0.34
TDP2 O95551 2/20 0.33
HSD17B10 Q99714 1/20 0.31
DNMT1 P26358 1/20 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
SCHEMBL18215445 0.82 EDNRB (0.44) TGM2CES1MDM2TP53TDP2
SCHEMBL18215457 0.66 TDP2 (0.38) MDM2TDP2
SCHEMBL18209322 0.62 HSD17B10 (0.49) HSD17B10
SCHEMBL17580885 0.60 APEX1 (0.40) TGM2CES1MDM2TP53
SCHEMBL30556457 0.58 TDP2 (0.41) TGM2CES1TDP2
SCHEMBL23652262 0.58 TGM2 (0.47) TGM2CES1MDM2TP53TDP2
SCHEMBL18215447 0.58 HSD17B10 (0.47) TGM2CES1TDP2HSD17B10
SCHEMBL11358485 0.58 HSD17B10 (0.47) HSD17B10
SCHEMBL16267346 0.57 MAOA (0.50) TGM2CES1TP53TDP2
SCHEMBL21224167 0.57 TGM2 (0.50) TGM2CES1TP53TDP2

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-3292102-B1 ISOINDOLINONES, PROCESSES FOR THE PRODUCTION OF CHIRAL DERIVATIVES THEREOF AND USE THEREOF UNIV DEGLI STUDI DI SALERNO (IT) 2021-09-08 EP disclosed