SCHEMBL20175948

SCHEMBL20175948

CCC1(COCCCCCCOCc2ccc(Br)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 2/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
SPHK1 Q9NYA1 2/20 0.31
LMNA P02545 1/20 0.30
EPHX2 P34913 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL21338401 0.85 TDP1 (0.37) CHRM3TDP1L3MBTL1IDO1
SCHEMBL21338402 0.85 TDP1 (0.37) CHRM3TDP1L3MBTL1IDO1
SCHEMBL870036 0.85 TDP1 (0.37) CHRM3TDP1L3MBTL1IDO1
SCHEMBL5422965 0.85 TDP1 (0.37) CHRM3TDP1L3MBTL1IDO1
SCHEMBL5424499 0.80 TDP1 (0.34) CHRM3TDP1L3MBTL1
SCHEMBL9347610 0.77 IDO1 (0.52) CHRM3TDP1L3MBTL1IDO1PTPN2
SCHEMBL26882643 0.76 LMNA (0.49) CHRM3TDP1L3MBTL1IDO1LMNA
SCHEMBL3182495 0.75 TDP1 (0.37) TDP1L3MBTL1SPHK1LMNA
SCHEMBL14330062 0.74 HTT (0.39) TDP1SPHK1
SCHEMBL19074506 0.73 TSHR (0.47) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10840451-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic eletroluminescent element, lighting device, and display device formed therewith HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-11-17 US disclosed
US-20180145257-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH RESONAC CORPORATION (JP) 2018-05-24 US disclosed
US-20180145257-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH RESONAC CORPORATION (JP) 2018-05-24 US disclosed