SCHEMBL4900842

SCHEMBL4900842

O=C(O)C(Cl)(Cl)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KIF11 P52732 1/20 0.41
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
AKR1B1 P15121 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
CXCL8 P10145 1/20 0.37
CYP2C9 P11712 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL11438546 0.80 KCNN4 (0.40) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL4838145 0.79 KCNN4 (0.42) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL30885348 0.79 KCNN4 (0.42) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL11734681 0.79 KCNN4 (0.52) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL4564870 0.78 KCNN4 (0.45) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL2798675 0.78 CYP2C9 (0.50) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL11574066 0.78 CES2 (0.38) KCNN4ALDH1A1CES2CES1KIF11
SCHEMBL29718828 0.77 KCNN4 (0.44) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL785777 0.77 KCNN4 (0.44) KCNN4ALDH1A1CYP1A2CES2CES1
SCHEMBL7186121 0.77 CYP1A2 (0.43) ALDH1A1CYP1A2TSHRPOLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062709-A1 RODENTICIDE BAIT COMPOSITION RECKITT BENCKISER LLC (US) 2023-03-02 US disclosed
WO-2020065314-A1 RODENTICIDE BAIT COMPOSITION RECKITT BENCKISER LLC (US) 2020-04-02 WO disclosed
CN-109415321-A aromatic sulfonamide derivatives 拜耳制药股份公司 2019-03-01 CN disclosed
US-20130231380-A1 Rodenticide RECKITT BENCKISER (AUSTRALIA) PTY LIMITED (AU) 2013-09-05 US disclosed
US-20080260683-A1 Rodenticide RECKITT BENCKISER (AUSTRALIA) PTY LIMITED (AU) 2008-10-23 US disclosed
WO-2005072524-A1 RODENTICIDE RECKITT BENCKISER (AUSTRALIA) PTY LIMITED (AU) 2005-08-11 WO disclosed