SCHEMBL15775290

SCHEMBL15775290

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
PGR P06401 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
SCHEMBL15775298 0.87 ALDH1A1 (0.38) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL15775729 0.86 CHRM5 (0.35) SMN1; SMN2ALDH1A1PDE3BPDE3AMAOB
SCHEMBL15775479 0.86 NOTUM (0.39) RAB9ANPC1RXFP1L3MBTL1CD274
SCHEMBL15775398 0.85 RAB9A (0.40) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL15775756 0.85 ALDH1A1 (0.42) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL15775423 0.83 PDCD1 (0.38) MAPTKDM4EPDE3BPDE3ACD274
SCHEMBL15775366 0.83 RAB9A (0.38) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL15775204 0.81 CYP19A1 (0.41) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL15775397 0.75 ACHE (0.40) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL15775414 0.74 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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