SCHEMBL9100960

SCHEMBL9100960

[CH2]c1cc(OC)cc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 1/20 0.39
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
CSNK1D P48730 2/20 0.33
GAK O14976 1/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
DHFR P00374 1/20 0.32
POLB P06746 1/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL21314229 0.85 HTT (0.39) KDM4ERAB9ANPC1ALDH1A1GAA
SCHEMBL2580908 0.84 NPC1 (0.35) KDM4ERAB9AL3MBTL1NPC1POLB
SCHEMBL27164725 0.84 NPC1 (0.46) KDM4EPKMRAB9ANPC1ALDH1A1
SCHEMBL12179711 0.84 CACNA1D (0.38) CACNA1DPTGS1KDM4EPKMCSNK1D
SCHEMBL1100542 0.84 CACNA1D (0.38) CACNA1DPTGS1KDM4EPKMCSNK1D
SCHEMBL2589600 0.83 NPC1 (0.43) KDM4ERAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL2587974 0.81 NPC1 (0.40) KDM4ERAB9ANPC1ALDH1A1GAA
SCHEMBL15398010 0.78 MC4R (0.38) CACNA1DKDM4ECSNK1DRAB9ANPC1
SCHEMBL20961133 0.78 MC4R (0.36) CACNA1DPTGS1CSNK1DRAB9ANPC1
SCHEMBL825192 0.78 CSNK1D (0.36) CACNA1DPTGS1CSNK1DRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303415-B1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC (CH) 2022-12-28 EP claimed
EP-3743270-B1 CAST-MOLDING PROCESS FOR PRODUCING UV-ABSORBING CONTACT LENSES ALCON INC (CH) 2022-06-08 EP claimed
EP-3052534-B1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES NOVARTIS AG (CH) 2019-05-01 EP claimed
EP-3768794-B1 CHARGE-MODIFIED PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2021-04-28 EP disclosed
EP-3390497-A1 POLYMERIZABLE POLYSILOXANES WITH HYDROPHILIC SUBSTITUENTS Novartis AG (CH) 2018-10-24 EP disclosed
EP-3077016-B1 SOFT ACRYLIC MATERIALS WITH HIGH REFRACTIVE INDEX AND MINIMIZED GLISTENING NOVARTIS AG (CH) 2018-05-16 EP disclosed
WO-2017103791-A1 POLYMERIZABLE POLYSILOXANES WITH HYDROPHILIC SUBSTITUENTS NOVARTIS AG (CH) 2017-06-22 WO disclosed
EP-3052534-A1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES Novartis AG (CH) 2016-08-10 EP disclosed
WO-2015048035-A1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES NOVARTIS AG (CH) 2015-04-02 WO disclosed
US-8232326-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20120142877-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2012-06-07 US disclosed