SCHEMBL28202999

SCHEMBL28202999

NC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ AKR1C3 P42330 3/20 0.43
▸ AKR1C2 P52895 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL28203019 0.80 AKR1C3 (0.44) KMT2AALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL28203797 0.80 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL28316792 0.79 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL28856804 0.78 BCAT2 (0.45) AKR1C3AKR1C2LMNAGAAPOLB
SCHEMBL5182501 0.78 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL3207733 0.77 AR (0.53) KMT2AALDH1A1AKR1C3AKR1C2MAPT
SCHEMBL28203761 0.76 KMT2A (0.48) KMT2AALDH1A1SMN1; SMN2AKR1C3AKR1C2
SCHEMBL28856829 0.76 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2MAPTHTT
Water SCHEMBL27993079 0.75 AR (0.52) KMT2AALDH1A1AKR1C3AKR1C2MAPT
SCHEMBL28856801 0.74 KMT2A (0.48) KMT2AALDH1A1SMN1; SMN2MAPTLMNA

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-107734969-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-02-23 — — CN disclosed
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