SCHEMBL29623545

SCHEMBL29623545

Cc1cc(Br)ccc1N1CCCS1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDK1 P06493 4/20 0.39
CDK2 P24941 4/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
TSHR P16473 1/20 0.38
TP53 P04637 3/20 0.38
CRHR1 P34998 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
HTR7 P34969 1/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL18010591 1.00 MEN1 (0.41) MEN1MAPTALOX15ALOX12HBB
SCHEMBL2760314 0.84 MAPT (0.43) MEN1MAPTKMT2ACDK1CDK2
SCHEMBL5352352 0.81 MAPT (0.53) MEN1MAPTALOX15KMT2ACDK1
SCHEMBL3987697 0.81 ALOX5AP (0.41) CDK1CDK2TP53ALDH1A1HPGD
SCHEMBL1479429 0.78 POLB (0.53) ALOX15HSD17B10PIK3C3TP53ALDH1A1
SCHEMBL5363500 0.77 ALDH1A1 (0.46) MEN1MAPTKMT2ATSHRALDH1A1
SCHEMBL1479646 0.76 KDM4E (0.48) MAPTALOX15HSD17B10PIK3C3TP53
SCHEMBL2367098 0.75 LMNA (0.56) MEN1MAPTKMT2ATSHRTP53
SCHEMBL2366644 0.75 POLB (0.44) MEN1MAPTKMT2AHSD17B10CDK1
SCHEMBL12240508 0.74 CDK1 (0.46) MEN1KMT2AHSD17B10CDK1CDK2

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
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed