SCHEMBL540855

SCHEMBL540855

O=c1c2c3c(sc2ncn1CCn1cnc2sc4c(c2c1=O)CCCC4)CCCC3

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
KDM4E B2RXH2 2/20 0.74
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 2/20 0.67
POLB P06746 2/20 0.61
ESR2 Q92731 1/20 0.61
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
TP53 P04637 1/20 0.60
RXFP1 Q9HBX9 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
PTPN11 Q06124 1/20 0.55
HPGD P15428 1/20 0.54

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
SCHEMBL16983040 0.99 ALDH1A1 (0.72) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL7520713 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL7522252 0.92 ALDH1A1 (0.71) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16983013 0.91 ALDH1A1 (0.66) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16983016 0.89 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16975046 0.89 KDM4E (0.64) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL23493807 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2950082 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL18000058 0.83 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL18000068 0.82 ALDH1A1 (0.95) ALDH1A1KDM4EKMT2AMEN1MAPT

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-2413696-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE Mount Sinai School Of Medicine Of New York University (US) 2012-02-08 EP claimed
WO-2010114636-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-10-07 WO claimed
EP-2413696-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE Mount Sinai School Of Medicine Of New York University (US) 2012-02-08 EP disclosed
WO-2010114636-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-10-07 WO disclosed