SCHEMBL10566340

SCHEMBL10566340

COCCOCC(=O)Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)(F)F)c(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.33
▸ THRB P10828 1/20 0.33
▸ VDR P11473 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32

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
SCHEMBL10561070 0.94 PKM (0.34) PKMTHRBVDRHTTALDH1A1
SCHEMBL10563657 0.87 THRB (0.38) PKMTHRBVDRALDH1A1MAPT
SCHEMBL10566337 0.86 PKM (0.33) PKMTHRBVDRHTTALDH1A1
SCHEMBL10562681 0.85 ALDH1A1 (0.34) PKMTHRBVDRHTTALDH1A1
SCHEMBL10565318 0.84 PKM (0.43) PKMTHRBHTTALDH1A1MAPT
SCHEMBL10565211 0.84 LMNA (0.35) PKMHTTALDH1A1LMNASMN1; SMN2
SCHEMBL10561066 0.80 PKM (0.33) PKMTHRBVDRHTTALDH1A1
SCHEMBL10477941 0.80 PKM (0.34) PKMHTTALDH1A1MAPTLMNA
SCHEMBL10562676 0.79 ALDH1A1 (0.35) PKMTHRBVDRHTTALDH1A1
Isopropylamine SCHEMBL10733802 0.79 PKM (0.36) PKMHTTALDH1A1LMNAMEN1

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
US-4812165-A HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-03-14 — — US claimed
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