SCHEMBL9100713

SCHEMBL9100713

O=C(Oc1[c]nccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 1/20 0.44
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A3 Q01959 1/20 0.39
JAK2 O60674 1/20 0.38

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
SCHEMBL9479674 0.77 KDM4E (0.37) LMNAKMT2AMAPTSMN1; SMN2PKM
SCHEMBL9098750 0.74 MAPT (0.41) LMNAKMT2AMAPTSMN1; SMN2F2
SCHEMBL23289 0.73 F2 (0.48) LMNAKMT2AMAPTSMN1; SMN2PKM
SCHEMBL5551848 0.72 LMNA (0.64) LMNAKMT2AMAPTSMN1; SMN2PKM
SCHEMBL7802215 0.71 KMT2A (0.45) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL7801460 0.70 LMNA (0.43) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL328754 0.68 LTA4H (0.44) KMT2AMAPTNPC1RAB9ATSHR
SCHEMBL2262194 0.68 LMNA (0.56) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL9097970 0.68 KMT2A (0.47) LMNAMETAP2METAP1HDAC6KMT2A
SCHEMBL29372731 0.67 LMNA (0.56) LMNAKMT2AMAPTSMN1; SMN2PKM

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 11 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
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 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-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed