SCHEMBL28656371

SCHEMBL28656371

C[Si](C)(C)CCOCn1nc2cc([N+](=O)[O-])ccc2c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
ACHE P22303 3/20 0.37
MAPT P10636 8/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CRHBP P24387 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
SCHEMBL29644058 0.81 CNR2 (0.39) ACHEMAPTMEN1KMT2ACNR1
SCHEMBL27228071 0.78 CNR2 (0.39) HTTACHEMAPTMEN1KMT2A
SCHEMBL2144860 0.78 CNR2 (0.39) HTTACHEMAPTMEN1KMT2A
SCHEMBL2144335 0.77 CNR2 (0.38) HTTACHEMAPTMEN1KMT2A
SCHEMBL30284921 0.77 CNR2 (0.38) HTTACHEMAPTMEN1KMT2A
SCHEMBL29644076 0.76 CNR2 (0.38) HTTACHEMAPTMEN1KMT2A
SCHEMBL2144082 0.76 ELANE (0.41) HTTACHEMAPTMEN1KMT2A
SCHEMBL3705619 0.76 CNR2 (0.37) HTTACHEMAPTMEN1KMT2A
SCHEMBL2470918 0.75 CNR2 (0.45) ACHEMAPTMEN1KMT2ACNR1
SCHEMBL3517141 0.75 CNR2 (0.45) ACHEMAPTMEN1KMT2ACNR1

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-113710667-A Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases 爱尔兰詹森科学公司 2021-11-26 CN disclosed