SCHEMBL30739792

SCHEMBL30739792

O=C(Nc1ccccc1)c1c(F)ccc([N+](=O)[O-])c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
MEN1 O00255 8/20 0.57
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 4/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 4/20 0.55
CASP6 P55212 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALOX5 P09917 1/20 0.48
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
MITF O75030 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
APP P05067 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
SCHEMBL28876086 0.89 MDM2 (0.52) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL356638 0.84 MAPT (0.55) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL21174680 0.83 MEN1 (0.54) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL13202165 0.79 SLC6A2 (0.41) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL1349352 0.79 MAPK1 (0.51) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL27651199 0.78 MEN1 (0.64) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL633629 0.78 TDP1 (0.46) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL2779018 0.77 KMT2A (0.68) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL29154301 0.77 TDP1 (0.45) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL20051587 0.76 GAA (0.62) KMT2AMEN1HTTLMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed