SCHEMBL9870442

SCHEMBL9870442

CCNC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
SMN1; SMN2 Q16637 5/20 0.70
ALDH1A1 P00352 4/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
CYP1A2 P05177 1/20 0.70
POLB P06746 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
MAPT P10636 5/20 0.58
HTT P42858 2/20 0.56
RAB9A P51151 1/20 0.56
TACR1 P25103 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LMNA P02545 4/20 0.52
S1PR3 Q99500 2/20 0.52
HTR1E P28566 1/20 0.52
TP53 P04637 2/20 0.51
XBP1 P17861 1/20 0.51
PCTP Q9UKL6 1/20 0.51

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
SCHEMBL9872426 0.85 MEN1 (0.57) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6719100 0.84 ALDH1A1 (0.64) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6032242 0.81 SMN1; SMN2 (0.70) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29521694 0.79 ALDH1A1 (0.68) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8336482 0.79 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8337364 0.79 SMN1; SMN2 (0.58) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9871765 0.78 ALDH1A1 (0.67) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6715648 0.78 ALDH1A1 (0.67) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6715643 0.78 ALDH1A1 (0.67) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7064646 0.78 MEN1 (0.57) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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-5076832-A Certain 3-(substituted phenyl)-5-(substituted phenyl)-1-ethylimidazolidine-4-ones as herbicides ICI AMERICAS INC. (US) 1991-12-31 US disclosed