SCHEMBL5301746

SCHEMBL5301746

COC(=O)c1sccc1NC(=O)CCc1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.77
LMNA P02545 2/20 0.77
CASP3 P42574 2/20 0.77
SENP7 Q9BQF6 2/20 0.77
SENP6 Q9GZR1 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
HPGD P15428 1/20 0.77
ATM Q13315 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
SENP8 Q96LD8 1/20 0.77
MAPK10 P53779 8/20 0.60
MAPK8 P45983 7/20 0.60
MAPK9 P45984 3/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL5303546 0.85 MAPK8 (0.66) KMT2ALMNACASP3SENP7SENP6
SCHEMBL5292551 0.82 POLB (0.61) KMT2ALMNACASP3SENP7SENP6
SCHEMBL4751448 0.82 KMT2A (0.65) KMT2ALMNACASP3SENP7SENP6
SCHEMBL4787145 0.81 KMT2A (0.64) KMT2ALMNACASP3SENP7SENP6
SCHEMBL5296521 0.81 NPC1 (0.77) KMT2ALMNACASP3SENP7SENP6
SCHEMBL5292231 0.81 LMNA (0.57) KMT2ALMNACASP3SENP7SENP6
SCHEMBL4753018 0.80 ALDH1A1 (0.80) KMT2ALMNACASP3SENP7SENP6
SCHEMBL5106577 0.80 KMT2A (0.66) KMT2ALMNACASP3SENP7SENP6
SCHEMBL5309261 0.79 HCAR2 (0.60) KMT2ALMNACASP3SENP7SENP6
SCHEMBL4751462 0.79 NPSR1 (0.78) KMT2ALMNACASP3SENP7SENP6

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-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed