SCHEMBL901695

SCHEMBL901695

CC(C)(C)N(CCc1cccc(-c2cccc(Br)n2)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.36
GRM2 Q14416 1/20 0.35
CNR2 P34972 2/20 0.34
CFD P00746 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
HTR7 P34969 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL902454 0.86 ASIC3 (0.42) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1704199 0.79 TAAR1 (0.55) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL1788632 0.77 DHODH (0.43) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL902758 0.77 KARS1 (0.64) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL1705304 0.77 KARS1 (0.47) CNR2
SCHEMBL1704492 0.76 KARS1 (0.51)
SCHEMBL901864 0.75 KARS1 (0.49)
SCHEMBL4158364 0.74 OPRK1 (0.55) MEN1KMT2AHTTL3MBTL1
SCHEMBL1026339 0.74 TAAR1 (0.47) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL901976 0.74 ALDH1A1 (0.46) DAGLAALDH1A1LMNAHPGDCFD

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed