SCHEMBL4066883

SCHEMBL4066883

CC([O])(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CYP19A1 P11511 2/20 0.46
KIF11 P52732 2/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42
BCL2 P10415 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
MIF P14174 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL6003017 0.91 KMT2A (0.56) KMT2AMEN1CYP19A1TSHRCYP1A2
SCHEMBL240161 0.85 MAPK1 (0.50) KMT2ATSHRCYP1A2ALDH1A1ALOX15
SCHEMBL10838797 0.81 CYP19A1 (0.64) KMT2AMEN1CYP19A1KIF11TSHR
SCHEMBL25039218 0.81 KMT2A (0.52) KMT2AMEN1CYP19A1KIF11TSHR
SCHEMBL9317593 0.81 ESR1 (0.60) KMT2AMEN1CYP19A1KIF11TSHR
SCHEMBL9906175 0.77 KMT2A (0.82) KMT2AMEN1CYP19A1KIF11TSHR
SCHEMBL16144309 0.77 KMT2A (0.82) KMT2AMEN1CYP19A1KIF11TSHR
SCHEMBL11188153 0.77 KIF11 (0.48) KMT2AMEN1CYP19A1KIF11TSHR
SCHEMBL4062666 0.77 KMT2A (0.82) KMT2AMEN1CYP19A1KIF11TSHR
SCHEMBL27313443 0.77 HDAC3 (0.50) KMT2AMEN1CYP19A1KIF11CYP1A2

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
WO-2009094457-A2 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS (US) 2009-07-30 WO disclosed