SCHEMBL22200743

SCHEMBL22200743

COc1ccc(Cl)cc1CSCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ADRB2 P07550 1/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TTR P02766 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL12370675 0.82 IDO1 (0.50) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL905352 0.80 TTR (0.51) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL365584 0.80 LMNA (0.51) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL6076875 0.80 ALDH1A1 (0.50) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL1196055 0.78 KDM4E (0.47) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL28091557 0.78 NLRP3 (0.47) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL712489 0.78 MAPT (0.57) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL10401199 0.78 KDM4E (0.47) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL27996454 0.78 KDM4E (0.47) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1
SCHEMBL3028416 0.78 MEN1 (0.49) KDM4EHPGDSMN1; SMN2L3MBTL1MEN1

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
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 WO disclosed