SCHEMBL5808780

SCHEMBL5808780

Cc1[nH]c2c(OCc3ccc(F)cc3)nc(C#N)cc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
CNR1 P21554 2/20 0.37
ACHE P22303 2/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
MGMT P16455 1/20 0.36
XDH P47989 2/20 0.35
MPO P05164 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5807360 0.82 LMNA (0.38) MAOBMAOACNR1ACHELMNA
SCHEMBL5807497 0.79 LMNA (0.43) MAOBMAOACNR1LMNAHTT
SCHEMBL5806373 0.78 MAOB (0.41) MAOBMAOALMNAHTT
SCHEMBL1736971 0.77 CYP3A4 (0.43) LMNAHTTSMN1; SMN2MAPTCYP1A2
SCHEMBL5809748 0.77 CNR1 (0.40) MAOBMAOACNR1ACHELMNA
SCHEMBL5806102 0.76 MAOB (0.41) MAOBMAOACNR1ACHELMNA
Hydrochloric Acid SCHEMBL1738769 0.76 CYP3A4 (0.42) LMNASMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1736815 0.76 CSF1R (0.38) POLB
Hydrochloric Acid SCHEMBL5811001 0.76 CNR1 (0.39) MAOBMAOACNR1ACHELMNA
SCHEMBL7480371 0.75 CYP1A2 (0.49) MAOBCNR1ACHELMNAHTT

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