SCHEMBL6205790

SCHEMBL6205790

COc1ccc(COC(=O)c2cc([N+](=O)[O-])c3ccccc3c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ DHODH Q02127 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL6204807 0.84 HPGD (0.48) HPGDRAB9ASMN1; SMN2ALDH1A1THRB
SCHEMBL6206373 0.76 PSEN1 (0.60) RAB9ADHODHMEN1KMT2AMMP1
SCHEMBL10489198 0.74 ALOX5 (0.50) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22283425 0.73 TDP1 (0.71) HPGDRAB9AALDH1A1KMT2AHTT
SCHEMBL27707704 0.72 MAPT (0.60) HPGDALDH1A1MEN1KMT2AGAA
SCHEMBL10359930 0.72 TDP1 (0.57) RAB9AALDH1A1KMT2ALMNAMAPK1
SCHEMBL12118843 0.71 MEN1 (0.47) RAB9ASMN1; SMN2ALDH1A1THRBMEN1
SCHEMBL8403461 0.71 ALDH1A1 (0.65) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27660988 0.70 KDM4E (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL7886556 0.70 TDP1 (0.54) RAB9AALDH1A1KMT2ALMNAMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2005-11-23 — — EP disclosed
US-6130237-A Condensed N-aclyindoles as antitumor agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-10-10 — — US disclosed
EP-0938474-A2 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-01 — — EP disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 — — WO disclosed
Send feedback