SCHEMBL9263231

SCHEMBL9263231

Cc1nc2ccccc2n1-c1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.74
HTT P42858 1/20 0.74
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL7760076 0.86 MAPK1 (0.79) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL540947 0.85 MAPK1 (1.00) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL338236 0.83 MAPK1 (0.74) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL14004824 0.83 MAPK1 (0.74) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL22507416 0.83 MAPK1 (0.74) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL19844108 0.83 MAPK1 (0.80) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL20040426 0.83 MAPK1 (0.74) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL13495663 0.83 MAPK1 (0.74) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL13030954 0.82 HTT (0.79) MAPK1HTTTSHRALDH1A1KDM4E
SCHEMBL19275965 0.81 HTT (0.72) MAPK1HTTTSHRALDH1A1KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556750-B1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME LG CHEMICAL LTD (KR) 2021-02-24 EP disclosed
EP-3556750-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME LG Chem, Ltd. (KR) 2019-10-23 EP disclosed
US-5428168-A Substituted butyrolactol ether derivative BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-06-27 US disclosed
EP-0527817-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-24 EP disclosed
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US disclosed
US-5120747-A Antiallergens, antiinflammatory agent PFIZER INC. (US) 1992-06-09 US disclosed
US-5070205-A Chemical intermediate for anticoagulants PFIZER INC. (US) 1991-12-03 US disclosed
WO-1991017157-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1991-11-14 WO disclosed
EP-0310386-B1 4-ARYL-5-CARBAMOYL-1,4-DIHYDROPYRIDINES Pfizer Limited (GB) 1991-11-06 EP disclosed
US-5063237-A Antiallergens and antiinflammatory agents PFIZER INC. (US) 1991-11-05 US disclosed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US disclosed
EP-0310386-A2 4-Aryl-5-carbamoyl-1,4-dihydropyridines Pfizer Limited (GB) 1989-04-05 EP disclosed