SCHEMBL6002823

SCHEMBL6002823

[CH]=CC=Cc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
RAB9A P51151 7/20 0.54
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
APP P05067 1/20 0.51
INSR P06213 1/20 0.51
NCOA1 Q15788 1/20 0.51
NPC1 O15118 5/20 0.50
SNCA P37840 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 5/20 0.47

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
SCHEMBL31074949 0.82 MAPT (0.54) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL7465197 0.82 MAPT (0.54) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL7465202 0.82 MAPT (0.54) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL719080 0.81 RAB9A (0.51) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL11776645 0.81 MAPT (0.57) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL29881859 0.81 MAPT (0.56) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL28820669 0.81 MAPT (0.56) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL26467451 0.81 MAPT (0.57) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL319386 0.78 MEN1 (0.77) MAPTRAB9AKMT2AMEN1TDP1
SCHEMBL10619184 0.78 SNCA (0.65) MAPTRAB9AKMT2AMEN1TDP1

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed