SCHEMBL15775398

SCHEMBL15775398

Cc1ccc(C2=NC(=O)c3cccc(C)c3C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ACHE P22303 2/20 0.37
PARP1 P09874 3/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HPGDS O60760 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL15775397 0.89 ACHE (0.40) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL15776267 0.88 NOTUM (0.39) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL15775414 0.88 SMN1; SMN2 (0.38) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL15775238 0.87 PARP10 (0.39) ACHEPARP1PARP10PARP11TYR
SCHEMBL15775159 0.86 PARP1 (0.36) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL15775739 0.86 TNKS (0.40) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL15775290 0.85 RAB9A (0.38) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL15775366 0.85 RAB9A (0.38) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL15775785 0.85 TNKS (0.41) MAPTPARP1CD274TNKSTNKS2
SCHEMBL15775566 0.84 KCNH2 (0.35) RAB9ANPC1ALDH1A1SMN1; SMN2PKM

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO claimed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed