SCHEMBL5810147

SCHEMBL5810147

Cc1[nH]c2c(OCc3c(Cl)cccc3Cl)nccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
AHR P35869 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.39
MPO P05164 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CSF1R P07333 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL5806654 0.86 MPO (0.42) CYP1A2CYP2C9CYP2C19CYP3A4AHR
SCHEMBL5809894 0.81 HTR6 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4KDM4E
SCHEMBL5808896 0.80 HTR6 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL5811682 0.80 MAOA (0.47) CYP1A2CYP2C9CYP2C19CYP3A4AHR
SCHEMBL5808997 0.80 NPC1 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL5810331 0.79 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL5810105 0.78 LMNA (0.51) CYP1A2CYP2C9CYP2C19CYP3A4AHR
SCHEMBL5810951 0.77 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4AHR
SCHEMBL5809111 0.77 CNR2 (0.49) CYP1A2CYP2C9CYP2C19CYP3A4AHR
SCHEMBL5807542 0.76 HTR6 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MPO

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed