SCHEMBL9428441

SCHEMBL9428441

O=C(O)Cc1ccc(-c2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 4/20 0.55
LMNA P02545 2/20 0.52
RAB9A P51151 6/20 0.52
MAPT P10636 2/20 0.52
PPARA Q07869 3/20 0.52
TSHR P16473 3/20 0.51
ABCC4 O15439 1/20 0.51
PTGS1 P23219 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
FFAR1 O14842 1/20 0.49
TP53 P04637 2/20 0.48
NFKB1 P19838 2/20 0.48

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
SCHEMBL9428747 0.89 ALOX5 (0.60) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL9427717 0.85 ALOX5 (0.52) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL4031798 0.84 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL6527094 0.84 RAB9A (0.62) KDM4EALDH1A1GAARAB9AMAPT
SCHEMBL4039765 0.83 CYSLTR1 (0.53) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL19509921 0.81 ALDH1A1 (0.60) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9428612 0.81 PTGS2 (0.51) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL19475521 0.81 RAB9A (0.49) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL4034509 0.81 RAB9A (0.56) KDM4EALDH1A1GAALMNARAB9A
SCHEMBL9427556 0.81 RAB9A (0.49) KDM4EALDH1A1HPGDGAALMNA

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
US-5364944-A Antiinflammatory, antiallergic and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-15 US disclosed
US-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US disclosed