SCHEMBL6204807

SCHEMBL6204807

COC(=O)C(C(=O)OC)c1c(C(=O)OCc2ccc(OC)cc2)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL6205790 0.84 HPGD (0.50) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6205105 0.79 ALDH1A1 (0.53) HPGDALDH1A1SMN1; SMN2ATMMEN1
SCHEMBL28496666 0.68 KEAP1 (0.54) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL12118843 0.68 MEN1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1THRB
SCHEMBL29875159 0.67 ALDH1A1 (0.49) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL19925957 0.67 ALDH1A1 (0.49) HPGDALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8403461 0.67 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL8967277 0.67 ALDH1A1 (0.54) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4408529 0.67 ALDH1A1 (0.58) HPGDALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL27551193 0.67 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2RAB9ANPC1MAPK1

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
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