SCHEMBL28097517

SCHEMBL28097517

O=C(O)c1ccc(Cc2cccc(I)c2CBr)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 2/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2C Q14957 1/20 0.34
FOLH1 Q04609 3/20 0.33
KMO O15229 1/20 0.33
PTPN11 Q06124 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL28816006 0.90 TSHR (0.43) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28097630 0.85 TSHR (0.46) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28047452 0.85 TSHR (0.46) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28047407 0.84 TSHR (0.44) TSHRKDM4EAKR1B1
SCHEMBL28050988 0.84 TSHR (0.48) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28097628 0.84 TSHR (0.44) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28144559 0.81 TSHR (0.47) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28153750 0.81 TSHR (0.42) TSHRKDM4EPTPN1CYP2C9HIF1A
SCHEMBL28047464 0.81 CYP2C9 (0.50) TSHRKDM4ECYP2C9HIF1AHSD17B10
SCHEMBL27994728 0.80 TSHR (0.55) TSHRKDM4EPTPN1CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104271571-B Tetrazolinone compound and use thereof 住友化学株式会社 2017-07-07 CN disclosed
CN-104245689-B Terazololine-one compound and its purposes as insecticide 住友化学株式会社 2017-06-06 CN disclosed
CN-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed
CN-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 CN disclosed