SCHEMBL22494027

SCHEMBL22494027

CC(=O)c1ccc(-c2cccc3[nH]ccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.55
ASH1L Q9NR48 1/20 0.51
HPGDS O60760 4/20 0.51
GOT1 P17174 1/20 0.47
PIK3CB P42338 2/20 0.46
PIK3CG P48736 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIP4K2A P48426 1/20 0.44
PIP4K2B P78356 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.44
DHPS P49366 1/20 0.44
AURKA O14965 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
FTO Q9C0B1 1/20 0.43
ABL1 P00519 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL24196046 0.86 ASH1L (0.65) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL2947880 0.86 PIK3CD (0.57) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL2948502 0.84 PIK3CD (0.51) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL27698578 0.79 NR4A2 (0.58) ASH1LMAPTSMN1; SMN2ABL1SGK1
SCHEMBL10945814 0.79 PIK3CD (0.75) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL13115632 0.78 PIK3CD (0.64) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL27504678 0.78 PIK3CD (0.64) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL27725234 0.76 PIK3CD (0.66) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL2193011 0.76 PIK3CD (0.70) PIK3CDASH1LHPGDSPIK3CBPIK3CG
SCHEMBL29712113 0.76 PIK3CD (0.70) PIK3CDASH1LHPGDSPIK3CBPIK3CG

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
WO-2020198478-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2020-10-01 WO disclosed