SCHEMBL11455024

SCHEMBL11455024

COC(=O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ ATM Q13315 1/20 0.61
▸ LMNA P02545 6/20 0.57
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ TTR P02766 1/20 0.54
▸ PPOX P50336 1/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ ALDH1A1 P00352 5/20 0.51
▸ RAB9A P51151 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ LIPE Q05469 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ XBP1 P17861 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ FFAR1 O14842 1/20 0.47

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
SCHEMBL10452504 0.89 KMT2A (0.69) KMT2AATMLMNATDP1MEN1
Potassium Ion SCHEMBL11458215 0.88 KMT2A (0.56) KMT2AATMLMNATDP1MEN1
SCHEMBL10775218 0.88 SMN1; SMN2 (0.58) KMT2AATMLMNATDP1MEN1
SCHEMBL11455998 0.88 KMT2A (0.56) KMT2AATMLMNATDP1MEN1
SCHEMBL10772903 0.86 SMN1; SMN2 (0.52) KMT2AATMLMNATDP1MEN1
SCHEMBL10775596 0.86 LMNA (0.51) KMT2AATMLMNATDP1MEN1
SCHEMBL11220963 0.86 LMNA (0.52) KMT2AATMLMNATDP1MEN1
SCHEMBL10452398 0.85 LMNA (0.56) KMT2AATMLMNATDP1MEN1
SCHEMBL10775901 0.85 LMNA (0.49) KMT2AATMLMNATDP1MEN1
SCHEMBL10452399 0.85 LMNA (0.56) KMT2AATMLMNATDP1MEN1

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
US-4235621-A 2-Substituted phenoxy-3-chloro-5-trifluoromethyl pyridine useful as a herbicide ISHIHARA SANGYO KAISHA LTD. (JP) 1980-11-25 — — US claimed
US-4235621-A 2-Substituted phenoxy-3-chloro-5-trifluoromethyl pyridine useful as a herbicide ISHIHARA SANGYO KAISHA LTD. (JP) 1980-11-25 — — US disclosed
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