SCHEMBL4100776

SCHEMBL4100776

CC(=O)Oc1ccc2[nH]c(NC(=O)c3[nH]cnc3C(=O)Nc3cc(Br)ccc3C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.44
ALDH1A1 P00352 7/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.41
MEN1 O00255 7/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4100766 0.92 KMT2A (0.43) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL214362 0.90 GAA (0.47) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4097621 0.89 MAPT (0.43) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL214060 0.88 KMT2A (0.42) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2735354 0.88 MAPT (0.44) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2735426 0.86 ALDH1A1 (0.41) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL214518 0.86 GAA (0.43) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL214927 0.86 GAA (0.43) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL214824 0.86 ALDH1A1 (0.41) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL215210 0.86 KMT2A (0.42) KMT2AALDH1A1MAPTKDM4ESMN1; 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 2 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 disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed