SCHEMBL5344692

SCHEMBL5344692

CC(C)(CN)C(N)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPY1R P25929 1/20 0.35
NPY5R Q15761 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HTT P42858 3/20 0.34
GUSB P08236 1/20 0.34
PIN1 Q13526 1/20 0.34
DUSP10 Q9Y6W6 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL27994848 0.79 POLB (0.43) POLBCYP1A2TSHRKMT2AMEN1
SCHEMBL3869151 0.75 MAPK1 (0.44) POLBCYP1A2TSHRKMT2AMEN1
SCHEMBL201873 0.73 MAPT (0.40) POLBCYP1A2TSHRKMT2AMEN1
SCHEMBL3861252 0.73 PIN1 (0.38) PIN1MAPT
SCHEMBL3862001 0.71 PTGES (0.42) SMN1; SMN2PIN1MAPT
SCHEMBL202880 0.70 POLB (0.51) POLBCYP1A2TSHRKMT2AMEN1
SCHEMBL4727431 0.70 POLB (0.51) POLBCYP1A2TSHRKMT2AMEN1
SCHEMBL15923536 0.70 CYP1A2 (0.45) POLBCYP1A2TSHRKMT2AMEN1
SCHEMBL4157332 0.70 PDE10A (0.40) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1043132 0.70 MEN1 (0.41) POLBCYP1A2TSHRKMT2AMEN1

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
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 WO disclosed