SCHEMBL29101

SCHEMBL29101

O=[C]OCc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
NPC1 O15118 2/20 0.45
PPARG P37231 5/20 0.44
PPARA Q07869 4/20 0.44
ALDH1A1 P00352 4/20 0.44
PPARD Q03181 3/20 0.44
TRPA1 O75762 1/20 0.41
MAPT P10636 7/20 0.41
RAB9A P51151 4/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL29100 1.00 MEN1 (0.45) MEN1KMT2ANPC1PPARGPPARA
SCHEMBL502 0.82 TSHR (0.52) KMT2ANPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL8881644 0.82 TSHR (0.52) KMT2ANPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL6510845 0.81 PTGS2 (0.46) NPC1PPARAPPARDMAPTRAB9A
SCHEMBL1456261 0.81 PTGS2 (0.46) NPC1PPARAPPARDMAPTRAB9A
SCHEMBL7617607 0.80 TSHR (0.50) KMT2ANPC1PPARGALDH1A1RAB9A
SCHEMBL131471 0.79 IDO1 (0.55) NPC1RAB9AHTTTSHRLMNA
SCHEMBL27597789 0.78 TSHR (0.48) KMT2ANPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2920835 0.77 ALDH1A1 (0.40) MEN1KMT2ANPC1ALDH1A1TRPA1
Cyanide SCHEMBL27392144 0.76 TSHR (0.46) MEN1KMT2ANPC1ALDH1A1RAB9A

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 837 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
EP-0695750-B1 Naphthyridinium derivative, method for its production; antibody against said derivative and the use of said antibody NIPPON ZOKI PHARMACEUTICAL CO (JP) 2000-03-01 EP claimed
EP-0362941-B1 4-Methyl and 4-ethyl substituted pyrrolidin-2-ones MERCK SHARP & DOHME (GB) 1995-12-20 EP claimed
EP-0389437-B1 Luciferin derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 1995-05-24 EP claimed
EP-0220923-B1 Dipeptides and process GRACE W R & CO (US) 1994-04-27 EP claimed
US-5128069-A Luciferin derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1992-07-07 US claimed
US-5120746-A Inhibit gastric acid secretion TOYAMA CHEMICAL CO., LTD. (JP) 1992-06-09 US claimed
US-4810817-A ARTIFICIAL SWEETENERS W. R. GRACE & CO. (US) 1989-03-07 US claimed
US-4767863-A Isoxazoline intermediates BRISTOL-MYERS COMPANY (US) 1988-08-30 US claimed
US-4710583-A ENZYMATIC COUPLING OF PHENYLSERINE WITH ASPARTIC ACID; HYDROGENATION W. R. GRACE & CO. (US) 1987-12-01 US claimed
EP-0220923-A2 Dipeptides and process W.R. Grace & Co.-Conn. (US) 1987-05-06 EP claimed
US-4643849-A ANTIULCER, ANTISECRETORY AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1987-02-17 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
EP-0011283-A1 New lactyl tetrapeptide, processes for preparation thereof and pharmaceutical compositions containing it FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-28 EP claimed
US-4176009-A HYDROLYZING OLIGOPEPTIDES IN A AQUEOUS SOLUTION TO RELEASE PEPTIDE FRAGMENTS, USING COLORIMETRIC ANALYSIS AFTER SOLVENT EXTRACTION AJINOMOTO CO., INC. (JP) 1979-11-27 US claimed
US-4138394-A Peptide derivatives and a method of measuring collagenase activity AJINOMOTO CO., INC. (JP) 1979-02-06 US claimed
US-4086136-A Process for producing a peptide using a serine or thiol proteinase (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-04-25 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US claimed