SCHEMBL9683395

SCHEMBL9683395

CCC1CN(c2cccc(C(F)(F)F)c2)C(=O)C1(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
BRD9 Q9H8M2 1/20 0.40
KCNH2 Q12809 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
SCHEMBL9735938 0.89 AR (0.42) ARKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL10406730 0.85 NOTUM (0.43) ARKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL10986755 0.82 AR (0.46) ARKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL10407413 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1HSD17B10SMN1; SMN2TP53
SCHEMBL10986984 0.80 AR (0.43) ARKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL10652687 0.80 DRD2 (0.41) ARSMN1; SMN2MEN1KMT2ADRD2
SCHEMBL9797233 0.78 AR (0.49) ARKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL9681581 0.74 HTR7 (0.42) KDM4EALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL9659383 0.73 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1TP53MAPT
SCHEMBL9362478 0.73 KMT2A (0.42) ARALDH1A1HSD17B10MEN1KMT2A

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
JP-2237970-A None JP disclosed
EP-0495981-A1 4-ETHYL-1-(3-TRIFLUOROMETHYLPHENYL)-2-PYRROLIDINONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-07-29 EP disclosed
JP-H02237970-A 4-ETHYL-1-(3-TRIFLUOROMETHYLPHENYL)-2-PYRROLIDINONE DERIVATIVE AND HERBICIDE CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MITSUI TOATSU CHEM INC 1990-09-20 JP disclosed