SCHEMBL28779334

SCHEMBL28779334

O=COCCc1cc(-c2cccs2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 3/20 0.34
GAA P10253 2/20 0.34
NFKB1 P19838 1/20 0.34
AHR P35869 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL27687137 0.78 LMNA (0.50) ADORA3L3MBTL1LMNAPOLBRAB9A
SCHEMBL6412460 0.75 HCAR2 (0.50) SMN1; SMN2DRD2DRD4DRD3ADORA3
SCHEMBL5904032 0.75 COMT (0.54) SMN1; SMN2DRD2DRD4DRD3ADORA3
SCHEMBL27758320 0.74 SMN1; SMN2 (0.40) SMN1; SMN2DRD2DRD4DRD3ADORA3
SCHEMBL624712 0.74 SMN1; SMN2 (0.54) SMN1; SMN2DRD2DRD4DRD3ADORA3
SCHEMBL14400727 0.74 SMN1; SMN2 (0.54) SMN1; SMN2DRD2DRD4DRD3ADORA3
SCHEMBL6412673 0.74 SMN1; SMN2 (0.48) SMN1; SMN2DRD2DRD4DRD3ADORA3
SCHEMBL28013856 0.74 MAPT (0.48) KMT2AMEN1MAPTRAB9AALOX15
SCHEMBL27880655 0.74 CYP2D6 (0.60) DRD2DRD4ALDH1A1
SCHEMBL6418397 0.73 KDM4E (0.47) SMN1; SMN2DRD2DRD4DRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed