SCHEMBL7646185

SCHEMBL7646185

Clc1ccc(C(Cl)(Cl)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
KIF11 P52732 3/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP19A1 P11511 5/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
BCL2 P10415 1/20 0.42
MIF P14174 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39

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
SCHEMBL11670749 0.89 TSHR (0.61) TSHRKIF11MAPK1CYP1A2
SCHEMBL4472039 0.89 TSHR (0.57) TSHRMAPK1HIF1ACYP19A1MEN1
SCHEMBL151981 0.86 TSHR (0.65) TSHRMAPK1CYP1A2
SCHEMBL3903209 0.84 TSHR (0.50) TSHRKIF11MAPK1HIF1ACYP1A2
SCHEMBL11652133 0.84 CYP19A1 (0.61) TSHRKIF11MAPK1HIF1ACYP1A2
SCHEMBL1224870 0.84 CYP19A1 (0.61) TSHRKIF11MAPK1HIF1ACYP1A2
SCHEMBL367665 0.84 CYP19A1 (0.61) TSHRKIF11MAPK1HIF1ACYP1A2
SCHEMBL9577502 0.84 TSHR (0.74) TSHRKIF11MAPK1HIF1ACYP1A2
Ammonia Solution, Strong SCHEMBL31241190 0.83 TSHR (0.61) TSHRMAPK1CYP1A2
Hydrochloric Acid SCHEMBL15864874 0.83 TSHR (0.61) TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001049642-A1 METHOD FOR PRODUCING DIARYLKETONES AND ACID HALIDES TESSENDERLO CHEMIE N.V. (BE) 2001-07-12 WO claimed
WO-2002042246-A1 METHOD FOR THE PREPARATION OF DICHLORODIARYLMETHANES TESSENDERLO CHEMIE N.V. (BE) 2002-05-30 WO disclosed
WO-2001049642-A1 METHOD FOR PRODUCING DIARYLKETONES AND ACID HALIDES TESSENDERLO CHEMIE N.V. (BE) 2001-07-12 WO disclosed
US-4044060-A PHOSGENE, THIONYL, PHOSPHORUS, ALDEHYDE, KETONE BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 US disclosed
US-3985766-A ANTIMYCOTICS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed