SCHEMBL30833761

SCHEMBL30833761

CC(O)n1cc2ccc([N+](=O)[O-])cc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
NFKB1 P19838 1/20 0.54
CASP3 P42574 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL25269515 0.89 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12251001 0.88 MAPT (0.66) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15910574 0.82 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27799614 0.77 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2103993 0.77 MAPT (1.00) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29855859 0.77 RAB9A (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20299497 0.77 RAB9A (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12250993 0.77 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29449417 0.75 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28879616 0.75 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2NPC1

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed