SCHEMBL6859933

SCHEMBL6859933

O=C(c1cccs1)c1nc(Sc2nnnn2-c2ccc(O)cc2)nc2ccsc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.48
ADORA1 P30542 11/20 0.48
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
BLM P54132 1/20 0.41
ADORA2B P29275 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6858284 0.84 ADORA2A (0.56) ADORA2AADORA1ALDH1A1HTTADORA2B
SCHEMBL6852717 0.74 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL6852935 0.73 ADORA2A (0.70) ADORA2AADORA1MEN1KMT2AHTT
SCHEMBL6852809 0.72 ADORA2A (0.65) ADORA2AADORA1ADORA2B
SCHEMBL2565551 0.67 ADORA2A (1.00) ADORA2AADORA1HTTADORA2B
SCHEMBL6859709 0.67 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6214522 0.67 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL6215714 0.66 ADORA2A (0.69) ADORA2AADORA1ADORA2B
SCHEMBL6858356 0.65 ADORA2A (0.55) ADORA2AADORA1ADORA2B
SCHEMBL6858354 0.65 ADORA2A (0.55) ADORA2AADORA1KMT2AALDH1A1HTT

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
US-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US disclosed