SCHEMBL11287905

SCHEMBL11287905

Cc1c(F)c(F)c(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ TTR P02766 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ MITF O75030 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSPB1 P04792 1/20 0.35

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
SCHEMBL10766268 0.91 TDP1 (0.42) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL11411623 0.90 MEN1 (0.38) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL10947425 0.89 GPR35 (0.39) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL10890833 0.87 MAPT (0.37) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL9120594 0.86 MEN1 (0.52) ALDH1A1HTTTSHRMEN1KMT2A
SCHEMBL11190333 0.86 TDP1 (0.43) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL10430085 0.85 TDP1 (0.43) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL11295140 0.85 ALDH1A1 (0.33) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL11213666 0.84 TDP1 (0.57) ALDH1A1HTTCYP3A4MEN1KMT2A
SCHEMBL10608335 0.84 KMT2A (0.36) ALDH1A1HTTMEN1KMT2ATDP1

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
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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