SCHEMBL3138666

SCHEMBL3138666

Cc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c4c(c5ccc(F)cc5c3O2)-c2ccc(F)cc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34
PIK3CA P42336 8/20 0.33
NPC1 O15118 2/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
SOS1 Q07889 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL25603183 0.97 ALK (0.34) ALKPIK3CANPC1GAARAB9A
SCHEMBL3155260 0.96 ALK (0.34) ALKPIK3CANPC1GAARAB9A
SCHEMBL25715269 0.94 ALK (0.33) ALKPIK3CANPC1GAARAB9A
SCHEMBL26628354 0.94 ALK (0.33) ALKPIK3CANPC1GAARAB9A
SCHEMBL720959 0.93 PIK3CA (0.34) ALKPIK3CANPC1GAARAB9A
SCHEMBL26648864 0.93 ALK (0.32) ALKPIK3CANPC1GAARAB9A
SCHEMBL25603187 0.93 SLC6A2 (0.33) ALKPIK3CANPC1GAARAB9A
SCHEMBL25603164 0.91 ALK (0.32) ALKPIK3CANPC1GAARAB9A
SCHEMBL3145520 0.91 PRKDC (0.34) ALKNPC1GAARAB9AKDM4E
SCHEMBL10116795 0.91 PIK3CA (0.35) ALKPIK3CANPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP claimed
US-7556751-B2 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US claimed
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP claimed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO claimed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US claimed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP disclosed
US-7556751-B2 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US disclosed