SCHEMBL4787145

SCHEMBL4787145

COC(=O)c1sccc1NC(=O)CCBr

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
CASP3 P42574 2/20 0.64
SENP7 Q9BQF6 2/20 0.64
SENP6 Q9GZR1 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64
ATM Q13315 1/20 0.64
SENP8 Q96LD8 1/20 0.64
ALDH1A1 P00352 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
MAPK8 P45983 5/20 0.63
MAPK10 P53779 5/20 0.63
MAPK9 P45984 3/20 0.63
HTT P42858 1/20 0.61
NPC1 O15118 1/20 0.60
MAPK1 P28482 1/20 0.59
MAPT P10636 1/20 0.57

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
SCHEMBL4749588 0.88 SMN1; SMN2 (0.67) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL5106577 0.87 KMT2A (0.66) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL4959294 0.84 ALDH1A1 (0.63) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL5294918 0.83 MAPK8 (0.68) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL7933290 0.82 MAPK8 (0.66) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL28722481 0.82 MAPK8 (0.66) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL16760967 0.82 MAPK8 (0.66) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL17817419 0.82 ALDH1A1 (0.60) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL5301746 0.81 KMT2A (0.77) KMT2AMEN1CASP3SENP7SENP6
SCHEMBL4751448 0.79 KMT2A (0.65) KMT2AMEN1CASP3SENP7SENP6

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-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed