SCHEMBL9100246

SCHEMBL9100246

O=c1[nH]c(=O)n([C@@H]2CC(OCc3ccccc3)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.54
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TYMS P04818 4/20 0.45
TYMP P19971 1/20 0.43
RNASE1 P07998 1/20 0.41
TK1 P04183 2/20 0.40

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
SCHEMBL9100241 1.00 HSP90AA1 (0.54) HSP90AA1LMNASMN1; SMN2TYMSTYMP
SCHEMBL10693997 0.89 LMNA (0.50) HSP90AA1LMNASMN1; SMN2TYMSTYMP
SCHEMBL10692453 0.89 LMNA (0.50) HSP90AA1LMNASMN1; SMN2TYMSTYMP
SCHEMBL10694460 0.89 TYMS (0.44) HSP90AA1SMN1; SMN2TYMSTYMPRNASE1
SCHEMBL10694464 0.89 TYMS (0.44) HSP90AA1SMN1; SMN2TYMSTYMPRNASE1
SCHEMBL10694863 0.89 TK1 (0.47) HSP90AA1TYMSTYMPRNASE1TK1
SCHEMBL10693954 0.89 TK1 (0.47) HSP90AA1TYMSTYMPRNASE1TK1
SCHEMBL9780832 0.88 TK1 (0.44) TYMSTYMPRNASE1TK1
SCHEMBL9780827 0.88 TK1 (0.44) TYMSTYMPRNASE1TK1
SCHEMBL9098705 0.85 HSP90AA1 (0.51) HSP90AA1LMNASMN1; SMN2TYMSTYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed