SCHEMBL28475336

SCHEMBL28475336

CC(C)(C)OC(=O)Nc1c(F)c(F)c([N+](=O)[O-])c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.40
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSS P25774 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 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
SCHEMBL31290291 0.83 CTSS (0.42) MEN1KMT2AATRCTSSCA1
SCHEMBL20865565 0.80 ATR (0.40) MEN1KMT2AATRNPC1RAB9A
SCHEMBL30810784 0.76 ATR (0.36) PRMT1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL19776332 0.76 ATR (0.36) PRMT1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7011944 0.76 MAPT (0.38) PRMT1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL31124393 0.74 ATR (0.37) MEN1KMT2AATRCTSSCA1
SCHEMBL31124321 0.73 ATR (0.41) MAPTSMN1; SMN2MEN1KMT2AATR
SCHEMBL31124503 0.73 CA1 (0.39) MEN1KMT2AATRCTSSCA1
SCHEMBL4591743 0.73 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29132832 0.73 PRMT1 (0.39) PRMT1MAPTSMN1; SMN2ALDH1A1MEN1

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-111954663-A Fluorinated 4- (substituted amino) phenyl carbamate derivatives 赛弗卢尔生命科学公司 2020-11-17 — — CN disclosed
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