SCHEMBL9650877

SCHEMBL9650877

O=[N+]([O-])c1[c]ccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.35
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL3278019 0.86 MAPT (0.37) PIM1MEN1TP53MAPTCASP3
SCHEMBL9650669 0.84
SCHEMBL9650828 0.83 MEN1 (0.38) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL9650883 0.81
SCHEMBL27727721 0.80 ALDH1A1 (0.37) MEN1TP53MAPTHTTKMT2A
SCHEMBL6490956 0.75 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL445246 0.74 ALDH1A1 (0.41) MEN1MAPTHTTKMT2A
SCHEMBL9190260 0.72 TSHR (0.50) CETPPIM1PIM2MEN1TP53
SCHEMBL9714508 0.71 TDP1 (0.50) CETPMEN1MAPTHTTKMT2A
SCHEMBL8611079 0.70 HSPB1 (0.50) CETPMEN1TP53MAPTCASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP claimed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US claimed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP claimed