SCHEMBL8018827

SCHEMBL8018827

O=c1cc(C(F)(F)F)ncn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 4/20 0.41
LMNA P02545 2/20 0.41
HCAR1 Q9BXC0 1/20 0.41
MITF O75030 1/20 0.41
PTGS1 P23219 1/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL11786690 0.88 HTT (0.57) MEN1KMT2AALDH1A1PKMPOLB
SCHEMBL11780795 0.84 MKNK1 (0.42) ALDH1A1ESR1ESR2SMN1; SMN2HTT
SCHEMBL11783952 0.84 HCAR1 (0.43) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL11786697 0.83 FGFR1 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTFGFR1
SCHEMBL11780228 0.78 SMN1; SMN2 (0.48) MEN1KMT2AESR1ESR2SMN1; SMN2
SCHEMBL9765862 0.75 KDM4E (0.44) MEN1KMT2AALDH1A1PKMGAA
SCHEMBL9343492 0.74 KDM5B (0.38) ALDH1A1PKMKCNQ3KCNQ2HTT
SCHEMBL11785278 0.74 HCAR1 (0.53) MEN1KMT2AALDH1A1PKMPOLB
SCHEMBL11788419 0.73 PKM (0.45) PKMGAASMN1; SMN2
SCHEMBL9723106 0.73 GABRA2 (0.40) MEN1KMT2ALMNAKDM5B

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-6100257-A 2-HALOALKYL,3-(HALOALKYL, ALKENYL, OR ALKYNYL),5-(SUBSTITUTED PHENYL OR HETEROCYCLE),6-ALKYL-PYRIMIDIN-4-ONE COMPOUNDS OF GIVEN STRUCTURE; USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-08-08 US disclosed
US-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed