SCHEMBL7804334

SCHEMBL7804334

COc1cnc2c3c(nccc13)C(=O)c1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6408548 0.88 TOP2A (0.53) MAOALMNAMAPTHPGDMAPK1
SCHEMBL6409081 0.88 HKDC1 (0.46) MAOALMNAMAPTHPGDMAPK1
SCHEMBL7811209 0.81 MAOA (0.53) MAOAKMT2AALDH1A1
SCHEMBL6408521 0.79 LMNA (0.42) MAOALMNAMAPTHPGDMAPK1
SCHEMBL6407769 0.79 LMNA (0.44) MAOALMNAMAPTHPGDMAPK1
SCHEMBL6407142 0.79 MAPT (0.46) MAOALMNAMAPTHPGDMAPK1
SCHEMBL6409043 0.79 MAPT (0.46) MAOALMNAMAPTHPGDMAPK1
SCHEMBL7811692 0.78 MAOA (0.53) MAOAKMT2AALDH1A1
SCHEMBL7804497 0.78 MAOA (0.53) MAOAKMT2AALDH1A1
SCHEMBL7813560 0.78 MAOA (0.53) MAOAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588796-B1 SAMPANGINE DERIVATIVES USEFUL AS ANTIFUNGAL AND ANTIMYCOBACTERIAL AGENTS UNIV MISSISSIPPI (US) 2001-04-04 EP disclosed
US-5530004-A ADMINISTERING SAMPANGINE AND CLEISTOPHOLINE ANALOGS THE UNIVERSITY OF MISSISSIPPI (US) 1996-06-25 US disclosed
EP-0588796-A1 NEW COMPOUNDS AND COMPOSITIONS USEFUL AS ANTIFUNGAL AND ANTIMYCOBACTERIAL AGENTS THE UNIVERSITY OF MISSISSIPPI (US) 1994-03-30 EP disclosed
US-5227383-A Sampangine analogs THE UNIVERSITY OF MISSISSIPPI (US) 1993-07-13 US disclosed
WO-1992022297-A1 NEW COMPOUNDS AND COMPOSITIONS USEFUL AS ANTIFUNGAL AND ANTIMYCOBACTERIAL AGENTS THE UNIVERSITY OF MISSISSIPPI (US) 1992-12-23 WO disclosed