SCHEMBL6771869

SCHEMBL6771869

COc1cccc(-n2nc(C(C)(C)C)c3c2CCCC3=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.50
SRC P12931 2/20 0.49
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
BRD4 O60885 1/20 0.41
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.40
ALPG P10696 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6770366 0.87 SRC (0.56) SRCRAB9ASMN1; SMN2L3MBTL1CA1
SCHEMBL6772487 0.86 SRC (0.53) SRCSMN1; SMN2CA1ALDH1A1KDM4E
SCHEMBL6167303 0.84 ALDH1A1 (0.45) SRCRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6766708 0.82 RIPK2 (0.48) RIPK2SRCRAB9ASMN1; SMN2L3MBTL1
SCHEMBL6767112 0.82 OPRM1 (0.58) RIPK2SRCCA1OPRM1
SCHEMBL6771294 0.81 SRC (0.49) SRCRAB9ASMN1; SMN2L3MBTL1CA1
SCHEMBL6772956 0.81 SRC (0.49) SRCRAB9ASMN1; SMN2L3MBTL1CA1
SCHEMBL6769419 0.81 SRC (0.47) SRCRAB9ASMN1; SMN2L3MBTL1CA1
SCHEMBL6778055 0.80 SRC (0.43) RIPK2SRCRAB9ASMN1; SMN2L3MBTL1
SCHEMBL6777584 0.80 ALDH1A1 (0.53) SRCRAB9ASMN1; SMN2L3MBTL1CA1

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-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed