SCHEMBL9735938

SCHEMBL9735938

O=C1N(c2cccc(C(F)(F)F)c2)CC(CCl)C1(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL9683395 0.89 AR (0.44) ARMEN1KMT2ADRD2DRD3
SCHEMBL10652687 0.88 DRD2 (0.41) ARMEN1KMT2ADRD2DRD3
SCHEMBL10986755 0.88 AR (0.46) ARMEN1KMT2ADRD2DRD3
SCHEMBL10988131 0.80 GRM2 (0.41) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10983001 0.79 AR (0.45) ARNOTUM
SCHEMBL10986984 0.78 AR (0.43) ARMEN1KMT2ADRD2DRD3
SCHEMBL10993294 0.78 NSD2 (0.52) DRD2DRD3KCNH2NOTUMGRM2
SCHEMBL10406730 0.77 NOTUM (0.43) ARMEN1KMT2AALDH1A1KDM4E
SCHEMBL9797233 0.76 AR (0.49) ARMEN1KMT2ADRD2DRD3
SCHEMBL10459937 0.74 SMN1; SMN2 (0.51) MEN1KMT2ADRD2DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114466-A Plant growth regulators for weeds in a rice paddy MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-19 US disclosed
EP-0402893-A1 1-(3-substituted benzyl)-3-halogeno-4-(1-halogenoalkyl)-2-pyrrolidinone derivatives and herbicides containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-12-19 EP disclosed
US-4505737-A HALOGENATED PHENYLPYRROLIDONE AND HALOALKYLPHOSPHONIC ACID STAUFFER CHEMICAL COMPANY (US) 1985-03-19 US disclosed
US-4428767-A A PYRROLIDONE AND A CYCLOHEXENEDIONE STAUFFER CHEMICAL COMPANY (US) 1984-01-31 US disclosed
US-4416684-A PYRROLIDONE AND M-UREIDOPHENYL CARBAMATE STAUFFER CHEMICAL COMPANY (US) 1983-11-22 US disclosed
US-4317673-A MIXTURE OF /-TRIFLUOROPHENYL; 3-CHLORO, 4-CHLOROMETHYL-2-PYRROLIDONE AND AN N-P-CHLOROPHENOXYPHENYL-N*,N*-DIALKYL UREA STAUFFER CHEMICAL COMPANY (US) 1982-03-02 US disclosed
EP-0015453-B1 SYNERGISTIC HERBICIDAL COMPOSITIONS AND METHOD FOR CONTROLLING UNDESIRABLE VEGETATION STAUFFER CHEMICAL COMPANY (US) 1981-11-04 EP disclosed
US-4263038-A 3-AMINO-TRIAZOLE AND A PYRROLIDONE STAUFFER CHEMICAL COMPANY (US) 1981-04-21 US disclosed
US-4132713-A FROM UNSATURATED AMIDES STAUFFER CHEMICAL COMPANY (US) 1979-01-02 US disclosed