SCHEMBL4315844

SCHEMBL4315844

NC(=O)OC(=S)Nc1ncccc1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
RAB9A P51151 5/20 0.37
NPC1 O15118 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
AHR P35869 1/20 0.34
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7158819 0.79 L3MBTL1 (0.64) MAPTL3MBTL1EGFRERBB2RAB9A
SCHEMBL6902503 0.79 MAPT (0.42) MAPTL3MBTL1EGFRERBB2RAB9A
SCHEMBL15104669 0.74 RAB9A (0.46) MAPTL3MBTL1EGFRERBB2RAB9A
SCHEMBL2772081 0.73 RAB9A (0.50) MAPTL3MBTL1EGFRERBB2RAB9A
SCHEMBL374899 0.73 KMT2A (0.46) L3MBTL1EGFRERBB2RAB9ANPC1
SCHEMBL22908698 0.72 ALDH1A1 (0.53) MAPTL3MBTL1EGFRERBB2RAB9A
SCHEMBL27742417 0.72 GAA (0.45) MAPTL3MBTL1EGFRERBB2RAB9A
SCHEMBL623831 0.72 METAP1 (0.46) RAB9ANPC1SMN1; SMN2HTT
SCHEMBL29476654 0.72 METAP1 (0.46) RAB9ANPC1SMN1; SMN2HTT
SCHEMBL28680870 0.71 HPGD (0.49) RAB9ANPC1HPGDLMNASMN1; SMN2

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-2009155551-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed