SCHEMBL5810331

SCHEMBL5810331

Cc1[nH]c2c(OCc3ccc(Cl)cc3Cl)nccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
IDO1 P14902 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CCR4 P51679 4/20 0.39
SLC26A4 O43511 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
INPPL1 O15357 1/20 0.37
NR4A2 P43354 1/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
CYP2D6 P10635 1/20 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
SCHEMBL5806654 0.85 MPO (0.42) CYP1A2CYP2C9CYP2C19CYP3A4IDO1
SCHEMBL5808896 0.82 HTR6 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL5809894 0.81 HTR6 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4KDM4E
SCHEMBL5808997 0.79 NPC1 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4IDO1
SCHEMBL5810147 0.79 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4L3MBTL1
SCHEMBL3584464 0.78 GAA (0.46) CYP1A2CYP2C9CYP2C19CYP3A4IDO1
SCHEMBL5807474 0.78 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL2768320 0.77 INPPL1 (0.43) IDO1SLC26A4POLBMAPTINPPL1
SCHEMBL5810951 0.77 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4SLC26A4
Hydrochloric Acid SCHEMBL2769962 0.76 INPPL1 (0.43) CYP1A2CYP2C19CYP3A4IDO1L3MBTL1

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