SCHEMBL10778262

SCHEMBL10778262

S=[C]Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
IDO1 P14902 2/20 0.41
MIF P14174 1/20 0.34
DBH P09172 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
DAO P14920 1/20 0.31
S100A9 P06702 1/20 0.30
PNMT P11086 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
SCHEMBL2952761 0.77 PNMT (0.54) IDO1CYP3A4HTR3EHTR3BHTR3A
SCHEMBL4176549 0.74 TSHR (0.42) TSHRIDO1DBHL3MBTL1TP53
SCHEMBL3221871 0.74 TSHR (0.42) TSHRIDO1DBHL3MBTL1TP53
SCHEMBL2952783 0.74 MIF (0.48) IDO1MIF
SCHEMBL502201 0.74 KDM4E (0.48) TSHRIDO1L3MBTL1TP53CYP3A4
SCHEMBL5537239 0.72 ALDH1A1 (0.39) TSHRTP53CYP3A4
SCHEMBL28709411 0.70 MIF (0.52) TSHRIDO1MIFDBHCYP3A4
SCHEMBL10821425 0.69 PIK3CA (0.41) TSHRCYP3A4DAOPNMT
SCHEMBL7769505 0.69 IDO1 (0.52) TSHRIDO1DBHCYP3A4PNMT
SCHEMBL5537375 0.68 IDO1 (0.41) IDO1MIFDBHDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244195-A1 2-Vinylpenams and process THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1987-11-04 EP disclosed
US-4560749-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1985-12-24 US disclosed
US-4521598-A 3-Azidocephalosporins ELI LILLY AND COMPANY (US) 1985-06-04 US disclosed
EP-0136177-A2 3-Azidocephalosporins as intermediates and novel antibacterial agents ELI LILLY AND COMPANY (US) 1985-04-03 EP disclosed
US-4259236-A COLORFAST RED SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1981-03-31 US disclosed
US-4101541-A DYES FOR POLYESTERS OR POLYPROPYLENE CIBA-GEIGY CORPORATION (US) 1978-07-18 US disclosed
US-3998805-A MONOAZO DYES; POLYESTERS; YELLOW, RED, OR ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1976-12-21 US disclosed