SCHEMBL8842813

SCHEMBL8842813

Nc1c(C(F)(F)F)nsc1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
GPR35 Q9HC97 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL7824890 0.73 GRIA4 (0.39) HTTALDH1A1
SCHEMBL2804281 0.71 TDP1 (0.41) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8842879 0.71 MKNK1 (0.48) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3869347 0.69 KDM4E (0.41) KDM4EALDH1A1HPGD
SCHEMBL874572 0.69 ALDH1A1 (0.41) GPR35ALDH1A1HPGD
Amflutizole SCHEMBL395613 0.67 ALDH1A1 (0.52) KDM4EALDH1A1
SCHEMBL16049222 0.65 GPR35 (0.35) GPR35
SCHEMBL4754963 0.65 KDR (0.39) HSD17B10HTTKDM4EALDH1A1HPGD
SCHEMBL7817180 0.65 GAA (0.34) HTTALDH1A1
Hydrazine SCHEMBL9675518 0.64 ALDH1A1 (0.52) GPR35KDM4EALDH1A1HPGD

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-5674887-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
US-5436258-A Prevention of bone resorption ELI LILLY AND COMPANY (US) 1995-07-25 US disclosed
EP-0587378-A1 Prevention of bone resorption ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed