SCHEMBL9865737

SCHEMBL9865737

FC(F)(F)c1nc2c(Cl)c(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 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
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 4/20 0.40
EGLN1 Q9GZT9 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL11684204 0.88 KDM4E (0.42) RHEBHSD17B10HTTMAPTHPGD
SCHEMBL8855505 0.79 GRIN2D (0.47) HSD17B10HTTMAPTHPGDPOLB
SCHEMBL8183601 0.79 HTT (0.56) HSD17B10HTTMAPTHPGDPOLB
SCHEMBL133292 0.79 MAPT (0.50) HSD17B10HTTMAPTHPGDPOLB
SCHEMBL9190096 0.78 AR (0.41) RHEBHSD17B10HTTMAPTHPGD
SCHEMBL7043130 0.75 RHEB (0.54) RHEBHSD17B10HTTMAPTHPGD
SCHEMBL5987289 0.74 AR (0.62) RHEBHSD17B10HTTMAPTHPGD
SCHEMBL19065022 0.72 HTT (0.53) HSD17B10HTTMAPTHPGDPOLB
SCHEMBL15579814 0.72 MAPT (0.47) HSD17B10HTTMAPTHPGDPOLB
SCHEMBL2433662 0.72 MAPT (0.47) HSD17B10HTTMAPTHPGDPOLB

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