SCHEMBL4097621

SCHEMBL4097621

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1nc2cc(OCC(=O)O)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 5/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.38
TP53 P04637 3/20 0.38
CYP1A2 P05177 1/20 0.38
DGAT1 O75907 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX12 P18054 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
SCHEMBL2735354 0.93 MAPT (0.44) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL214362 0.89 GAA (0.47) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4100776 0.89 KMT2A (0.44) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2735426 0.88 ALDH1A1 (0.41) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL214060 0.88 KMT2A (0.42) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4100766 0.87 KMT2A (0.43) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL214941 0.87 HDAC6 (0.41) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL213667 0.87 KMT2A (0.42) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL214621 0.86 ALDH1A1 (0.39) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL215292 0.85 MAPT (0.37) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP claimed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO claimed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed