SCHEMBL8932246

SCHEMBL8932246

Nc1ccccc1C1CCC(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
RBP4 P02753 4/20 0.36
HSD11B1 P28845 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
GAA P10253 2/20 0.33
HTR2B P41595 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CUL4A Q13619 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL744815 0.84 ALOX15 (0.45) HTR2CGAACYP3A4ALOX15CASP1
SCHEMBL4848442 0.81 GLA (0.38) HTR2CHSD11B1GAACYP3A4ALOX15
SCHEMBL8932280 0.80 HTR2C (0.35) HTR2CRBP4GAAHTR2BTDP1
Aniline SCHEMBL22169152 0.76 TSHR (0.48) HTR2CTDP1CYP3A4ALOX15CASP1
SCHEMBL1068978 0.76 NOS1 (0.41) HTR2CGAACYP3A4ALOX15CASP1
SCHEMBL1067058 0.76 KDM4E (0.44) HTR2CGAACYP3A4ALOX15CASP1
SCHEMBL8932238 0.75 MEN1 (0.47) HTR2CGAATDP1CYP3A4ALOX15
SCHEMBL4849477 0.74 KDM4E (0.47) HTR2CGAACYP3A4ALOX15CASP1
SCHEMBL570948 0.74 KDM4E (0.47) HTR2CGAACYP3A4ALOX15CASP1
SCHEMBL8786474 0.74 KDM4E (0.47) HTR2CGAACYP3A4ALOX15CASP1

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-5498624-A PLANT FUNGICIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed