SCHEMBL22165488

SCHEMBL22165488

COc1ccc(N(Cc2cnc(SC)nc2Cl)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.62
TP53 P04637 6/20 0.51
GAA P10253 1/20 0.44
RNF4 P78317 1/20 0.44
MAPT P10636 1/20 0.43
BCL2A1 Q16548 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL29542273 0.90 SMN1; SMN2 (0.56) SMN1; SMN2TP53GAARNF4MAPT
SCHEMBL22178978 0.90 SMN1; SMN2 (0.56) SMN1; SMN2TP53GAARNF4MAPT
SCHEMBL22165369 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTKDM4EMEN1
SCHEMBL29541701 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTKDM4EMEN1
SCHEMBL22165818 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTKDM4EMEN1
SCHEMBL4687567 0.75 LMNA (0.56) SMN1; SMN2TP53GAARNF4MAPT
SCHEMBL22165348 0.73 SMN1; SMN2 (0.46) SMN1; SMN2TP53MAPTKDM4EALDH1A1
SCHEMBL22165490 0.73 LIPE (0.48) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL22179002 0.72 MEN1 (0.41) SMN1; SMN2TP53MAPTKDM4EALDH1A1
SCHEMBL22165446 0.71 HTT (0.46) SMN1; SMN2GAAMAPTKDM4EALDH1A1

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-3902804-A1 AZA-HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER Les Laboratoires Servier SAS (FR) 2021-11-03 EP disclosed
WO-2020139992-A1 AZA-HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER AGIOS PHARMACEUTICALS, INC. (US) 2020-07-02 WO disclosed