SCHEMBL23836629

SCHEMBL23836629

Nc1ccc(C(c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
HDAC2 Q92769 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
SCHEMBL29540299 0.90 ESR1 (0.44) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL296596 0.90 ESR1 (0.44) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL20869791 0.86 ESR1 (0.43) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL27150221 0.85 TSHR (0.55) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL20832862 0.85 CYP3A4 (0.41) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL12979851 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL8582134 0.79 ESR1 (0.48) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL21122316 0.79 ALDH1A1 (0.42) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL8582903 0.78 TSHR (0.61) ESR1ESR2ALDH1A1KDM4EMEN1
SCHEMBL612731 0.78 ALDH1A1 (0.58) ESR1ESR2ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380793-A1 FLUOROELASTOMER COMPOSITION SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2021-12-09 US disclosed
US-11124640-B2 Fluoroelastomer composition SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2021-09-21 US disclosed