SCHEMBL2485047

SCHEMBL2485047

COc1ccc2nc(NC(=O)c3cc[c]cc3)sc2c1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 18/20 0.82
NPC1 O15118 4/20 0.82
RAB9A P51151 4/20 0.82
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTT P42858 1/20 0.67
DYRK1A Q13627 1/20 0.67
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL31243 0.90 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16681363 0.89 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4912951 0.88 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4913650 0.87 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4919654 0.87 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4920310 0.87 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2753553 0.87 SCD (0.93) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16554145 0.87 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4915964 0.87 SCD (0.84) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL30917 0.86 SCD (0.83) SCDNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed