SCHEMBL22095038

SCHEMBL22095038

O=C(O)c1cnn(-c2cccc(-c3ccc([N+](=O)[O-])cc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
ALKBH2 Q6NS38 1/20 0.56
KEAP1 Q14145 4/20 0.55
NFE2L2 Q16236 4/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
EGLN1 Q9GZT9 3/20 0.47
HSP90AA1 P07900 1/20 0.47
PTPN11 Q06124 1/20 0.45

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
SCHEMBL25347365 0.87 ALKBH2 (0.61) HPGDSALKBH2KEAP1NFE2L2PTGDR2
SCHEMBL186625 0.87 MEN1 (0.58) HPGDSALKBH2KEAP1NFE2L2PTGDR2
SCHEMBL16799807 0.80 KEAP1 (0.59) HPGDSALKBH2KEAP1NFE2L2PTGDR2
SCHEMBL181969 0.79 TDP1 (0.55) HPGDSALKBH2PTGDR2MEN1KMT2A
SCHEMBL27897955 0.78 HPGDS (0.52) HPGDSALKBH2PTGDR2MEN1KMT2A
SCHEMBL629211 0.77 TP53 (0.67) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL8686215 0.77 TP53 (0.67) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL17125367 0.76 MEN1 (0.60) HPGDSALKBH2KEAP1NFE2L2MEN1
SCHEMBL7510493 0.74 ALKBH2 (0.71) HPGDSALKBH2KEAP1NFE2L2MEN1
SCHEMBL2860519 0.74 ALKBH2 (0.71) HPGDSALKBH2KEAP1NFE2L2PTGDR2

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-2020123855-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2020-06-18 WO disclosed