SCHEMBL13429752

SCHEMBL13429752

Sc1ccc(-c2cc(Br)c(Br)c(Br)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.60
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
IDO1 P14902 2/20 0.32
ESR1 P03372 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL30818320 0.78 ESR1 (0.47) IDO1ESR1HAO1
SCHEMBL7170676 0.78 APEX1 (1.00) APEX1CRHBPCRHR2AKR1C4AKR1C3
SCHEMBL13429984 0.77 ALDH1A1 (0.36) CRHBPCRHR2IDO1ESR1HAO1
SCHEMBL27982037 0.75 ESR1 (0.62) APEX1CRHBPCRHR2ESR1
SCHEMBL12440901 0.75 APEX1 (0.60) APEX1CRHBPCRHR2AKR1C2AKR1C1
Water SCHEMBL28122788 0.74 APEX1 (0.92) APEX1CRHBPCRHR2
SCHEMBL31197555 0.74 IDO1 (0.50) IDO1ESR1HAO1
SCHEMBL967694 0.74 IDO1 (0.50) IDO1ESR1HAO1
SCHEMBL63208 0.74 IDO1 (0.50) IDO1ESR1HAO1
SCHEMBL29662848 0.74 APEX1 (0.67) APEX1CRHBPCRHR2AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100069603-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed