SCHEMBL7024331

SCHEMBL7024331

Clc1cccc(C(Br)(Br)c2cccc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.46
KIF11 P52732 5/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
PNMT P11086 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM5 P08912 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PARP1 P09874 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8633370 0.80 CYP19A1 (0.43) CYP19A1KIF11ALDH1A1TSHRPNMT
SCHEMBL3356661 0.79 ALDH1A1 (0.50) CYP19A1KIF11ALDH1A1TSHRPNMT
SCHEMBL4463685 0.79 CYP19A1 (0.46) CYP19A1KIF11ALDH1A1TSHRPNMT
SCHEMBL9332683 0.79 CYP19A1 (0.46) CYP19A1KIF11ALDH1A1TSHRPNMT
SCHEMBL196785 0.79 TSHR (0.50) CYP19A1KIF11ALDH1A1TSHRPNMT
SCHEMBL29048828 0.78 KIF11 (0.49) CYP19A1KIF11ALDH1A1TSHRPNMT
SCHEMBL11300726 0.77 CYP19A1 (0.53) CYP19A1KIF11ALDH1A1TSHRPNMT
SCHEMBL592796 0.77 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1MEN1CYP1A2
SCHEMBL8860094 0.77 CYP19A1 (0.69) CYP19A1KIF11ALDH1A1TSHRMAPK1
SCHEMBL8137247 0.77 ESR1 (0.50) CYP19A1KIF11ALDH1A1TSHRPNMT

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
EP-1276461-A2 PERSONAL CLEANSING BAR AND PREPARATION PROCESS UNILEVER PLC (GB) 2003-01-22 EP disclosed
WO-2001080821-A2 PERSONAL CLEANSING BAR AND PREPARATION PROCESS UNILEVER PLC (GB) 2001-11-01 WO disclosed