SCHEMBL9099281

SCHEMBL9099281

O=c1[nH]c(=O)n([C@@H]2CC(OCc3ccccc3Br)[C@H](CO)O2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
RNASE1 P07998 1/20 0.51
TK1 P04183 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.44
ADRA1A P35348 1/20 0.44
TK2 O00142 1/20 0.43

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
SCHEMBL9099906 1.00 LMNA (0.59) LMNASMN1; SMN2RNASE1TK1CYP1A2
SCHEMBL9098818 0.91 LMNA (0.62) LMNASMN1; SMN2RNASE1TK1CYP1A2
SCHEMBL9098812 0.91 LMNA (0.62) LMNASMN1; SMN2RNASE1TK1CYP1A2
SCHEMBL9100746 0.90 LMNA (0.60) LMNASMN1; SMN2RNASE1TK1TSHR
SCHEMBL9100588 0.89 LMNA (0.59) LMNASMN1; SMN2RNASE1TK1ALOX12
SCHEMBL9100584 0.89 LMNA (0.59) LMNASMN1; SMN2RNASE1TK1ALOX12
SCHEMBL9099909 0.87 LMNA (0.57) LMNASMN1; SMN2RNASE1TK1CYP1A2
SCHEMBL9099904 0.87 LMNA (0.57) LMNASMN1; SMN2RNASE1TK1CYP1A2
SCHEMBL9097523 0.86 LMNA (0.63) LMNASMN1; SMN2RNASE1TK1ALOX12
SCHEMBL9097516 0.86 LMNA (0.63) LMNASMN1; SMN2RNASE1TK1ALOX12

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