SCHEMBL9865741

SCHEMBL9865741

FC(F)(F)c1nc2cc(Cl)c(Cl)c(Cl)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
AR P10275 5/20 0.38
CSNK2A1 P68400 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL11684206 0.88 GLP1R (0.40) HPGDHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL8855508 0.79 GRIN2D (0.47) HPGDHSD17B10ALDH1A1ALOX15NPSR1
SCHEMBL7045388 0.79 NPSR1 (0.44) HPGDHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL8183606 0.79 HSD17B10 (0.44) HPGDHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL30569300 0.77 HPGD (0.41) HPGDHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL7043132 0.75 GRIN2D (0.39) HPGDHSD17B10CYP1A2HTTGRIN2D
SCHEMBL31730671 0.75 GRIN2D (0.39) HPGDHSD17B10CYP1A2HTTGRIN2D
SCHEMBL5987289 0.74 AR (0.62) HPGDHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL8116479 0.73 NPSR1 (0.37) HPGDHSD17B10ALDH1A1CYP1A2CYP2C9
SCHEMBL8873028 0.72 GRIN2D (0.37) HPGDHSD17B10ALDH1A1HTTGRIN2D

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
EP-0412211-A1 Cancer therapy system THERAPEUTICAL SYSTEMS CORPORATION (US) 1991-02-13 EP disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4724234-A ADMINISTERING NUTRITIONAL REGIMEN AND AGENTS WHICH UNCOUPLE OXIDATIVE PHOSPHORYLATION THERAPEUTICAL SYSTEMS CORP. (US) 1988-02-09 US disclosed
US-4031107-A Method for introducing amino groups into benzimidazole or imidazopyridine compounds ELI LILLY AND COMPANY (US) 1977-06-21 US disclosed
US-3988465-A HERBICIDES SHELL OIL COMPANY (US) 1976-10-26 US disclosed