SCHEMBL5810105

SCHEMBL5810105

Cc1cccc(COc2nccc3c(C)c(C)[nH]c23)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PIN1 Q13526 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 7/20 0.42
IDO1 P14902 2/20 0.41
HTR6 P50406 4/20 0.40
ACHE P22303 1/20 0.39
MAOA P21397 3/20 0.39
AHR P35869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5808715 0.88 CYP1A2 (0.40) LMNAPIN1CYP1A2CYP3A4CYP2C9
SCHEMBL5809894 0.88 HTR6 (0.54) LMNAPIN1CYP1A2CYP3A4CYP2C9
SCHEMBL5807542 0.88 HTR6 (0.54) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5811682 0.87 MAOA (0.47) LMNAPIN1CYP1A2CYP3A4CYP2C9
SCHEMBL5811668 0.83 CYP1A2 (0.41) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5807558 0.82 MAOA (0.55) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL5808997 0.81 NPC1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19MAOB
SCHEMBL5807474 0.80 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19MAOA
SCHEMBL5808896 0.79 HTR6 (0.50) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5809748 0.79 CNR1 (0.40) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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