SCHEMBL4589824

SCHEMBL4589824

Cc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CCC1(CCc2ccccc21)O3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
RBP4 P02753 1/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN11 Q06124 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4574395 0.89 HCAR2 (0.35) ALDH1A1RBP4
SCHEMBL4596912 0.84 LMNA (0.35) POLBMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4574346 0.84 HTT (0.34) KDM4EALDH1A1SMN1; SMN2RBP4LMNA
SCHEMBL4573882 0.83 SMN1; SMN2 (0.34) POLBMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4595427 0.83 LMNA (0.35) POLBMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4575118 0.82 HCRTR1 (0.30)
SCHEMBL4597065 0.82 HCRTR1 (0.33) SMN1; SMN2LMNAHPGD
SCHEMBL4574391 0.77 MEN1 (0.30)
SCHEMBL5411682 0.75 ATP4A (0.44) POLBMAPK1KDM4EALDH1A1CCNA2
SCHEMBL4574520 0.73 SMN1; SMN2 (0.38) POLBMAPK1KDM4EALDH1A1SMN1; 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-2008071766-A2 SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2008-06-19 WO disclosed