SCHEMBL541201

SCHEMBL541201

O=CCSc1nc2sc3c(c2c(=O)[nH]1)CCCC3

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.76
RAB9A P51151 1/20 0.76
SMN1; SMN2 Q16637 2/20 0.73
HPGD P15428 7/20 0.67
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 3/20 0.60
PARP1 P09874 2/20 0.57
CYP1A2 P05177 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
POLB P06746 1/20 0.53

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
SCHEMBL3924721 0.82 SMN1; SMN2 (0.73) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL14681415 0.81 LMNA (0.64) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL12281819 0.80 SMN1; SMN2 (0.72) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL12280663 0.79 HPGD (0.71) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL11489588 0.79 HIF1A (0.65) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL21637701 0.78 KDM4E (0.70) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9972174 0.78 ALDH1A1 (1.00) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL20131163 0.76 HDAC6 (0.68) LMNASMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL1368915 0.73 ALDH1A1 (0.71) LMNARAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1368527 0.73 HIF1A (1.00) LMNASMN1; SMN2HPGDALDH1A1KDM4E

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