SCHEMBL4753849

SCHEMBL4753849

Cc1nc2c(O)cc(N3CCCCC3=O)cc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.47
LMNA P02545 1/20 0.41
PKM P14618 3/20 0.36
TNIK Q9UKE5 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 1/20 0.34
F10 P00742 2/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4755173 0.96 LMNA (0.45) BRD9LMNAPKMTNIKTP53
SCHEMBL4755523 0.91 BRD9 (0.36) BRD9LMNAPKMTNIKSMN1; SMN2
SCHEMBL4753629 0.75 BRD9 (0.41) BRD9LMNATP53MAPK1L3MBTL1
SCHEMBL13983563 0.74 CYP3A4 (0.60) BRD9LMNAPKMTP53MAPK1
SCHEMBL13983210 0.74 CYP3A4 (0.48) BRD9LMNAMAPK1HPGDCYP3A4
SCHEMBL4754938 0.72 FFAR1 (0.43) BRD9LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL13983208 0.71 CYP3A4 (0.54) BRD9LMNAL3MBTL1ALDH1A1CYP3A4
SCHEMBL4755121 0.71 CYP3A4 (0.56) BRD9LMNAPKMTP53MAPK1
SCHEMBL12996948 0.68 CYP3A4 (0.59) BRD9LMNAPKMTNIKL3MBTL1
SCHEMBL4753246 0.66 HRH3 (0.40) CYP3A4MEN1KMT2ANPC1RAB9A

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