SCHEMBL30701709

SCHEMBL30701709

O=CNc1ccc(C(c2ccc(NC=O)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TGM2 P21980 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL9741059 0.89 PTPN1 (0.42) ALDH1A1ESR1ESR2LMNAEPHX2
SCHEMBL2092101 0.85 ALDH1A1 (0.46) ALDH1A1ESR1ESR2LMNAEPHX2
SCHEMBL183175 0.84 EPHX2 (0.52) ALDH1A1EPHX2TGM2NPSR1CA1
SCHEMBL28229505 0.82 PTGS1 (0.37) ALDH1A1ESR1ESR2LMNAMEN1
SCHEMBL9291112 0.82 TSHR (0.46) ALDH1A1ESR1ESR2LMNANPSR1
SCHEMBL5429627 0.79 KIF11 (0.57) ALDH1A1EPHX2TGM2NPSR1CA1
SCHEMBL28509893 0.79 ALDH1A1 (0.41) ALDH1A1LMNAEPHX2SMN1; SMN2TGM2
SCHEMBL469386 0.78 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2NPSR1KDM4E
SCHEMBL9291230 0.78 KIF11 (0.45) ALDH1A1LMNASMN1; SMN2NPSR1MEN1
SCHEMBL9740641 0.78 MAPT (0.49) ALDH1A1LMNASMN1; SMN2NPSR1CA1

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
CN-113620814-B Green preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane 三明市海斯福化工有限责任公司 2023-12-26 CN claimed
CN-113620814-B Green preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane 三明市海斯福化工有限责任公司 2023-12-26 CN disclosed
CN-113620814-B Green preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane 三明市海斯福化工有限责任公司 2023-12-26 CN disclosed