SCHEMBL4749588

SCHEMBL4749588

COC(=O)c1sccc1NC(=O)CBr

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
HPGD P15428 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 2/20 0.67
CASP3 P42574 1/20 0.67
ATM Q13315 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MAPK8 P45983 4/20 0.66
MAPK10 P53779 4/20 0.66
MAPK9 P45984 3/20 0.66
HTT P42858 1/20 0.64
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 1/20 0.61
MAPT P10636 1/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.59

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
SCHEMBL4787145 0.88 KMT2A (0.64) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL5294918 0.86 MAPK8 (0.68) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL28722481 0.84 MAPK8 (0.66) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL16760967 0.84 MAPK8 (0.66) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL7933290 0.84 MAPK8 (0.66) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL5106577 0.83 KMT2A (0.66) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL4864158 0.81 MAPK8 (0.61) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL4959294 0.81 ALDH1A1 (0.63) SMN1; SMN2HPGDKMT2ALMNACASP3
SCHEMBL1367369 0.80 NPC1 (0.71) SMN1; SMN2HPGDKMT2ALMNAATM
SCHEMBL1039299 0.80 MAPK8 (1.00) SMN1; SMN2HPGDKMT2ALMNACASP3

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
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed