SCHEMBL8842864

SCHEMBL8842864

O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ns1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.56
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
CFTR P13569 2/20 0.48
XDH P47989 2/20 0.46
PIN1 Q13526 1/20 0.46
IDO1 P14902 1/20 0.44
CTSK P43235 1/20 0.44
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
CNR2 P34972 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTSS P25774 1/20 0.43
DHODH Q02127 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL11006751 0.87 KMO (0.45) KMOALDH1A1MEN1KMT2AKDM4E
SCHEMBL4553247 0.84 PPARD (0.44) SRD5A2
SCHEMBL6843818 0.80 TP53 (0.44) KMOALDH1A1MEN1KMT2AKDM4E
SCHEMBL8843416 0.78 KMO (0.52) KMOSMN1; SMN2PIN1IDO1CNR2
SCHEMBL3995043 0.76 KMO (0.56) KMOALDH1A1MEN1KMT2AKDM4E
SCHEMBL11002986 0.75 ALDH1A1 (0.53) KMOALDH1A1MEN1KMT2AKDM4E
SCHEMBL1988233 0.75 HPGDS (0.65) KMOALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10916325 0.75 ALDH1A1 (0.62) KMOALDH1A1MEN1KMT2AKDM4E
SCHEMBL11001930 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2PIN1
SCHEMBL11288811 0.74 KMO (0.56) KMOALDH1A1MAOB

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 10 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
EP-0578477-B1 Treatment of inflammatory bowel disease LILLY CO ELI (US) 1996-06-19 EP 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
US-5294630-A Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-03-15 US disclosed
EP-0578477-A1 Treatment of inflammatory bowel disease ELI LILLY AND COMPANY (US) 1994-01-12 EP disclosed
US-4544752-A TREATMENT OF GOUT; ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1985-10-01 US disclosed
EP-0048615-B1 IMPROVEMENTS IN OR RELATING TO 3-ARYL-5-ISOTHIAZOLE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4346094-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048615-A1 Improvements in or relating to 3-aryl-5-isothiazole derivatives ELI LILLY AND COMPANY (US) 1982-03-31 EP disclosed