SCHEMBL30739739

SCHEMBL30739739

O=C(Nc1cccc(F)c1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
POLB P06746 2/20 0.58
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
PHGDH O43175 1/20 0.52
HDAC2 Q92769 2/20 0.51
MAPK1 P28482 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HCAR3 P49019 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MITF O75030 1/20 0.50
SNCA P37840 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL26089934 0.84 KMT2A (0.46) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL11305957 0.81 POLB (0.57) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL20560639 0.80 KMT2A (0.44) MEN1KMT2ARAB9ANPC1PHGDH
SCHEMBL2113824 0.79 RAB9A (0.86) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL29429740 0.79 RAB9A (0.86) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL6762655 0.78 RAB9A (0.68) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL30739928 0.77 HCAR3 (0.66) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL18275000 0.77 POLB (0.58) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL18764592 0.77 TGM2 (0.48) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL641989 0.76 PHGDH (0.77) MEN1KMT2APOLBRAB9ANPC1

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