SCHEMBL4755173

SCHEMBL4755173

Cc1nc2c(O)cc(N3CCCC3=O)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
BRD9 Q9H8M2 1/20 0.43
PKM P14618 3/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL4753849 0.96 BRD9 (0.47) LMNABRD9PKMTP53MAPK1
SCHEMBL4755523 0.92 BRD9 (0.36) LMNABRD9PKMSMN1; SMN2MEN1
SCHEMBL4754938 0.75 FFAR1 (0.43) LMNABRD9MAPK1SMN1; SMN2TSHR
SCHEMBL4755121 0.74 CYP3A4 (0.56) LMNABRD9PKMTP53MAPK1
SCHEMBL4753629 0.72 BRD9 (0.41) LMNABRD9TP53MAPK1L3MBTL1
SCHEMBL13983563 0.71 CYP3A4 (0.60) LMNABRD9PKMTP53MAPK1
SCHEMBL13983210 0.70 CYP3A4 (0.48) LMNABRD9MAPK1HPGDCYP1A2
SCHEMBL4809458 0.67 LMNA (0.58) LMNABRD9PKMTP53MAPK1
SCHEMBL15516157 0.66 LMNA (0.57) LMNABRD9PKMTP53MAPK1
SCHEMBL3558933 0.66 KDM4E (0.49) LMNATP53L3MBTL1ALDH1A1HPGD

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-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed