SCHEMBL3716115

SCHEMBL3716115

N#C/C([C]=O)=C\c1ccc(O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.77
KMT2A Q03164 8/20 0.77
CISD1 Q9NZ45 2/20 0.77
THRB P10828 1/20 0.77
ALDH1A1 P00352 11/20 0.61
MAPT P10636 7/20 0.61
KDM4E B2RXH2 6/20 0.61
LMNA P02545 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
POLB P06746 2/20 0.61
EGFR P00533 7/20 0.57
CYP3A4 P08684 6/20 0.55
HPGD P15428 6/20 0.55
SLC16A3 O15427 1/20 0.55
SLC16A1 P53985 1/20 0.55
GPR35 Q9HC97 1/20 0.55
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
BLM P54132 5/20 0.48
CYP1A2 P05177 4/20 0.48

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
SCHEMBL3716116 1.00 MEN1 (0.77) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL1238796 0.87 MEN1 (1.00) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL19469440 0.82 KMT2A (0.59) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL5386095 0.82 MAPT (0.58) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL5386096 0.82 MAPT (0.58) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL25736025 0.80 MEN1 (0.77) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL11740232 0.78 ALDH1A1 (0.80) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL11740240 0.78 ALDH1A1 (0.80) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL5805056 0.78 ALDH1A1 (0.80) MEN1KMT2ACISD1THRBALDH1A1
SCHEMBL5805054 0.78 ALDH1A1 (0.80) MEN1KMT2ACISD1THRBALDH1A1

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
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed
US-7071168-B2 Anti-cancer compounds and methods related thereto THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-07-04 US disclosed
US-6388054-B1 AMINO ACID SEQUENCES OF ANTITUMOR AGENTS AND APOPTOSIS AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-14 US disclosed
WO-2000011022-A1 ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO STEWART JOHN M (US) 2000-03-02 WO disclosed
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US disclosed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP disclosed