SCHEMBL5145806

SCHEMBL5145806

Cc1ccc(CN2CCc3cncnc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
CLPP Q16740 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ATM Q13315 1/20 0.38
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL5145778 0.88 HSP90AB1 (0.48) LMNAPOLBMAPTNOD1ALDH1A1
SCHEMBL5144592 0.86 HSP90AB1 (0.49) LMNAPOLBNOD1ALDH1A1KDM4E
SCHEMBL5145876 0.86 PDE4B (0.42) LMNAPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL5144627 0.86 ABCB1 (0.53) POLBSMN1; SMN2NOD1ALDH1A1KMT2A
SCHEMBL5142455 0.80 CHRNB2 (0.52) LMNASMN1; SMN2ALDH1A1KDM4ECLPP
SCHEMBL5141439 0.80 SIGMAR1 (0.49) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5141468 0.79 MAPT (0.52) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6370338 0.78 PNMT (0.40) LMNAHRH3
SCHEMBL5141466 0.77 MAPT (0.53) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5142466 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed