SCHEMBL27651389

SCHEMBL27651389

O=C(O)c1ncc2ccccc2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
WDR5 P61964 1/20 0.44
PTPN1 P18031 1/20 0.44
AKT1 P31749 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 5/20 0.41
PIN1 Q13526 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
GPR3 P46089 1/20 0.40
NPC1 O15118 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39

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
SCHEMBL521828 0.79 EGLN1 (0.56)
SCHEMBL8150746 0.79 LDHA (0.50) ALDH1A1SMN1; SMN2MAPTKDM4ECYP1A2
SCHEMBL5808263 0.77 SMN1; SMN2 (0.38) LMNAAKT1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16624730 0.76 SMN1; SMN2 (0.48) LMNAWDR5AKT1ALDH1A1SMN1; SMN2
SCHEMBL11233688 0.75 LDHA (0.47) LMNAPTPN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29576853 0.74 AKT1 (0.64) LMNAAKT1KDM4EGPR3NPC1
SCHEMBL913394 0.74 AKT1 (0.64) LMNAAKT1KDM4EGPR3NPC1
SCHEMBL18648904 0.74 AKT1 (0.46) LMNAAKT1SMN1; SMN2MAPTKDM4E
SCHEMBL8789401 0.73 POLB (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL19055055 0.73 AKT1 (0.44) LMNAAKT1SMN1; SMN2MAPTKDM4E

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
CN-100398519-C Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORP (US) 2008-07-02 CN disclosed
CN-1780624-A Tetracyclic benzamide derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORP (US) 2006-05-31 CN disclosed