SCHEMBL28816006

SCHEMBL28816006

O=C(O)c1ccc(Cc2cccc(I)c2CCBr)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.41
FOLH1 Q04609 4/20 0.36
KMO O15229 1/20 0.35
PTPN1 P18031 1/20 0.35
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
PTPN11 Q06124 1/20 0.34
SLC16A3 O15427 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL28097517 0.90 TSHR (0.44) TSHRKDM4EFOLH1KMOPTPN1
SCHEMBL27994551 0.86 TSHR (0.43) TSHRKDM4EFOLH1PTPN1CYP2C9
SCHEMBL27994771 0.86 TSHR (0.43) TSHRKDM4EFOLH1PTPN1CYP2C9
SCHEMBL27994464 0.85 TSHR (0.43) TSHRKDM4EAKR1B1SLC16A3
SCHEMBL28815926 0.85 TSHR (0.43) TSHRKDM4EFOLH1PTPN1CYP2C9
SCHEMBL27994739 0.82 TSHR (0.40) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28050939 0.81 TSHR (0.53) TSHRKDM4EFOLH1PTPN1CYP2C9
SCHEMBL27999461 0.81 CASP6 (0.42) TSHRAKR1C3AKR1C2CDC25B
SCHEMBL28144559 0.79 TSHR (0.47) TSHRKDM4EFOLH1KMOPTPN1
SCHEMBL28047452 0.78 TSHR (0.46) TSHRKDM4EFOLH1PTPN1CYP2C9

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
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed
CN-104822666-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-08-05 CN disclosed
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed
CN-104271571-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
CN-104245689-A Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL CO 2014-12-24 CN disclosed