SCHEMBL9200301

SCHEMBL9200301

Cn1nnc2ccc(Oc3ccc(OC(F)(F)F)cc3Cn3cncn3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.38
CYP11B1 P15538 2/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRM7 Q14831 2/20 0.33
SCN9A Q15858 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8936780 0.90 KDM4E (0.38) CYP19A1CYP11B1SCN9AKDM4E
SCHEMBL9204708 0.89 CYP19A1 (0.44) CYP19A1CYP11B1SCN9AMEN1KMT2A
SCHEMBL9202290 0.88 CYP19A1 (0.39) CYP19A1CYP11B1CYP3A4CYP2C9CYP2C19
SCHEMBL9201287 0.86 CYP19A1 (0.39) CYP19A1CYP11B1SCN9AMEN1KMT2A
SCHEMBL8936722 0.86 CYP19A1 (0.46) CYP19A1CYP11B1SCN9AMEN1KMT2A
SCHEMBL8936723 0.86 CYP19A1 (0.39) CYP19A1CYP11B1SCN9AALDH1A1MAPT
SCHEMBL8936729 0.85 CYP19A1 (0.41) CYP19A1CYP11B1MEN1KMT2AALDH1A1
SCHEMBL8936761 0.84 CYP19A1 (0.44) CYP19A1CYP11B1SCN9A
SCHEMBL8936685 0.84 CYP19A1 (0.37) CYP19A1CYP11B1SCN9AALDH1A1MAPT
SCHEMBL8936774 0.84 CYP19A1 (0.39) CYP19A1CYP11B1SCN9AMEN1KMT2A

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
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed
EP-0660828-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1995-07-05 EP disclosed
WO-1994006778-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-03-31 WO disclosed