SCHEMBL9100291

SCHEMBL9100291

O=[N+]([O-])c1[c]nc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
ALOX15 P16050 1/20 0.35
S100A4 P26447 1/20 0.34
LMNA P02545 4/20 0.33
CTSB P07858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 5/20 0.33
CASP6 P55212 4/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 3/20 0.32

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
SCHEMBL135688 0.75 ALDH1A1 (0.43) ALDH1A1TSHRLMNACTSBSMN1; SMN2
SCHEMBL1531229 0.75 ALDH1A1 (0.35) ALDH1A1TSHRALOX15LMNAMAPT
SCHEMBL513103 0.71 S1PR4 (0.40) ALDH1A1MAPTPOLBTDP1MEN1
SCHEMBL27587949 0.71 ALDH1A1 (0.31) GPR35ALDH1A1LMNAMAPTTDP1
SCHEMBL7408489 0.70 MAPK1 (0.40) ALDH1A1TSHRLMNASMN1; SMN2TP53
SCHEMBL126630 0.68
SCHEMBL6544139 0.67 ALDH1A1 (0.34) ALDH1A1LMNAMAPT
SCHEMBL6543843 0.67 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2MAPTTDP1
SCHEMBL5259407 0.67 KDM4E (0.47) GPR35ALDH1A1ALOX15LMNASMN1; SMN2
SCHEMBL2441755 0.64 ALDH1A1 (0.36) GPR35ALDH1A1TSHRALOX15S100A4

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
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-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