SCHEMBL28008709

SCHEMBL28008709

CCc1nc2cc(C)c(C)nc2n1-c1ccc(CCN=[N+]=[N-])cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
PDE10A Q9Y233 3/20 0.33
PDPK1 O15530 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PTGER4 P35408 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28008295 0.84 MEN1 (0.41) MEN1KMT2ATP53POLBPABPC1
SCHEMBL28008294 0.83 AKT1 (0.44) MEN1KMT2ATP53POLBPABPC1
SCHEMBL1623518 0.82 MEN1 (0.40) MEN1KMT2ATP53POLBPABPC1
SCHEMBL1624761 0.82 MEN1 (0.40) MEN1KMT2ATP53POLBPABPC1
SCHEMBL1624649 0.82 MEN1 (0.43) MEN1KMT2ATP53POLBPABPC1
SCHEMBL27600254 0.78 NTRK1 (0.47) MEN1KMT2ATP53POLBPDE10A
SCHEMBL27600149 0.76 GSR (0.40) TP53PDE10ASMN1; SMN2MAPT
SCHEMBL27582833 0.76 PDE10A (0.39) KMT2ATP53PDE10AESR1ESR2
SCHEMBL27582767 0.76 PDE10A (0.39) TP53PDE10APDPK1ESR1ESR2
SCHEMBL27582863 0.76 BMI1 (0.39) POLBPDE10APDPK1RAB9A

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