SCHEMBL28047407

SCHEMBL28047407

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
NR4A2 P43354 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.40
SLC22A12 Q96S37 4/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1B1 P15121 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
PLA2G4A P47712 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 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
SCHEMBL27994464 0.90 TSHR (0.43) TSHRNR4A2NPC1RAB9AKDM4E
SCHEMBL28047452 0.85 TSHR (0.46) TSHRKDM4EAKR1B1MRGPRX4
SCHEMBL28097630 0.85 TSHR (0.46) TSHRNPC1RAB9AKDM4ESLC22A12
SCHEMBL28097628 0.84 TSHR (0.44) TSHRKDM4EMRGPRX4
SCHEMBL28050988 0.84 TSHR (0.48) TSHRNPC1RAB9AKDM4ESLC22A12
SCHEMBL28097517 0.84 TSHR (0.44) TSHRKDM4EAKR1B1
SCHEMBL27873323 0.83 SMN1; SMN2 (0.50) TSHRNR4A2NPC1RAB9AKDM4E
SCHEMBL27994717 0.81 TSHR (0.47) TSHRNR4A2NPC1RAB9AKDM4E
SCHEMBL28047464 0.81 CYP2C9 (0.50) TSHRRAB9AKDM4EHTTPLA2G4A
SCHEMBL27994728 0.80 TSHR (0.55) TSHRRAB9AKDM4ESMN1; SMN2

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-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
CN-105705020-A Plant disease control composition and application for same 住友化学株式会社 2016-06-22 CN disclosed
CN-105555139-A Plant disease control composition and use thereof SUMITOMO CHEMICAL CO 2016-05-04 CN disclosed
CN-105555138-A Plant disease control composition and use thereof SUMITOMO CHEMICAL CO 2016-05-04 CN disclosed