SCHEMBL28008294

SCHEMBL28008294

CCc1nc2cc(C)cnc2n1-c1ccc(CCN=[N+]=[N-])cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.44
AKT2 P31751 2/20 0.44
PDE10A Q9Y233 7/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.38
PABPC1 P11940 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
PDPK1 O15530 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
SCHEMBL28008709 0.83 MEN1 (0.37) PDE10AMEN1KMT2ATP53POLB
SCHEMBL1625166 0.82 MEN1 (0.47) AKT1AKT2PDE10AMEN1KMT2A
SCHEMBL1625204 0.82 AKT1 (0.51) AKT1AKT2PDE10AMEN1KMT2A
SCHEMBL27600116 0.81 AKT1 (0.48) AKT1AKT2PDE10AMEN1KMT2A
SCHEMBL28008295 0.81 MEN1 (0.41) AKT1AKT2PDE10AMEN1KMT2A
SCHEMBL27600254 0.77 NTRK1 (0.47) PDE10AMEN1KMT2ATP53POLB
SCHEMBL27600149 0.76 GSR (0.40) PDE10ATP53SMN1; SMN2
SCHEMBL27582833 0.76 PDE10A (0.39) PDE10AKMT2ATP53
SCHEMBL27582863 0.76 BMI1 (0.39) PDE10APOLBPDPK1
SCHEMBL27582767 0.76 PDE10A (0.39) PDE10ATP53PDPK1

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
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed