SCHEMBL906788

SCHEMBL906788

O=C(Nc1snc(Br)c1Br)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
MAPK10 P53779 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAK O14976 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ABL1 P00519 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
NAMPT P43490 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL906599 0.80 NAMPT (0.39) HPGDMAPK10L3MBTL1GAKMEN1
SCHEMBL1837920 0.78 GRM1 (0.56) HPGDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9082354 0.65 ALDH1A1 (0.47) HPGDMAPK10MEN1KMT2ASMN1; SMN2
SCHEMBL11355652 0.64 HPGD (0.53) HPGDL3MBTL1ADORA3MEN1KMT2A
SCHEMBL24992536 0.64 HPGD (0.56) HPGDL3MBTL1ADORA3MEN1KMT2A
SCHEMBL30173006 0.64 HPGD (0.56) HPGDL3MBTL1ADORA3MEN1KMT2A
SCHEMBL16986063 0.63 GPR35 (0.38) HPGDALDH1A1
SCHEMBL20270816 0.63 SMN1; SMN2 (0.58) MAPK10SMN1; SMN2
SCHEMBL19873324 0.63 HPGD (0.61) HPGDADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL3580813 0.62 NPC1 (0.60) L3MBTL1MEN1KMT2ASMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276759-B1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES LILLY CO ELI (US) 2011-10-19 EP disclosed
US-7932274-B2 3-indazolyl-4-pyridylisothiazoles ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
EP-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed