SCHEMBL29132780

SCHEMBL29132780

O=[N+]([O-])c1c(F)cccc1NO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 2/20 0.39
RAB9A P51151 8/20 0.38
NPC1 O15118 6/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT2B Q92831 1/20 0.38
POLB P06746 1/20 0.38
RORC P51449 1/20 0.38
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL4090578 0.83 ALDH1A1 (0.41) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL1855978 0.83 ALDH1A1 (0.45) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL22325730 0.81 ALDH1A1 (0.44) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL2958662 0.81 KAT2B (0.41) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL26089934 0.81 KMT2A (0.46) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL3141471 0.80 MAPT (0.51) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL20560639 0.80 KMT2A (0.44) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL240574 0.80 TDP1 (0.52) MAPTSMN1; SMN2ALDH1A1TDP1GPR35
SCHEMBL1396225 0.79 GPR35 (0.58) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL20560220 0.78 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2HTT

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-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 CN disclosed