SCHEMBL29273316

SCHEMBL29273316

COC(=O)c1sc(C(F)(F)F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
SOS1 Q07889 1/20 0.42
RAF1 P04049 6/20 0.41
PTPN2 P17706 1/20 0.40
MAPK14 Q16539 6/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1912421 0.85 RAF1 (0.51) RAF1MAPK14MAPTMAPK13MAPK12
SCHEMBL10264961 0.82 RAF1 (0.40) RAF1MAPK14MAPTKMT2AHSD17B10
SCHEMBL281723 0.81 RAF1 (0.42) NOTUMRAF1MAPK14MAPTKMT2A
SCHEMBL4062812 0.80 MAPT (0.42) NOTUMRAF1MAPK14MAPTKMT2A
SCHEMBL24212419 0.80 L3MBTL1 (0.46) NOTUMRAF1MAPK14MAPTKMT2A
Hydrochloric Acid SCHEMBL11007849 0.79 IKBKB (0.51) NOTUMRAF1MAPK14MAPTKMT2A
SCHEMBL11014523 0.78 MAPT (0.43) NOTUMRAF1MAPK14MAPTKDM4E
SCHEMBL319034 0.77 GSK3B (0.53) NOTUMMAPTKMT2AHSD17B10TSHR
SCHEMBL1969132 0.76 KMT2A (0.51) NOTUMRAF1MAPK14MAPTKMT2A
SCHEMBL12272176 0.75 HSD17B10 (0.44) NOTUMRAF1MAPTKMT2AHSD17B10

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
CN-117024441-A MAT2A inhibitor 武汉人福创新药物研发中心有限公司 2023-11-10 CN disclosed