SCHEMBL12199846

SCHEMBL12199846

COc1c(-n2nc3ccc(Cl)cc3n2)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
ERBB2 P04626 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
MAT2A P31153 1/20 0.30
AMY1A P0DUB6 1/20 0.30

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
SCHEMBL3537498 0.85 HTT (0.40) KDM4ENPC1RAB9A
SCHEMBL9871694 0.85 ALDH1A1 (0.38) NR1I2MAPTMEN1KMT2AKDM4E
SCHEMBL13567307 0.84 NPC1 (0.36) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL14473220 0.84 NR1I2 (0.33) NR1I2
SCHEMBL1398378 0.84
SCHEMBL10314539 0.83 NPC1 (0.35) NR1I2MAPTMEN1KMT2AKDM4E
SCHEMBL13260938 0.82 NR1I2 (0.33) NR1I2MAPTMEN1KMT2AKDM4E
SCHEMBL29241 0.82 NPC1 (0.41) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL29349567 0.82 NPC1 (0.41) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL13017779 0.82 ADORA2A (0.33) MAPTMEN1KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265092-B1 Electroluminescent device UDC IRELAND LTD (IE) 2018-03-14 EP disclosed
EP-1520450-B1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2017-08-02 EP disclosed
EP-3020785-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2016-05-18 EP disclosed
US-8034878-B2 Low molecular weight ethylene interpolymers, methods of making, and uses thereof DOW GLOBAL TECHNOLOGIES LLC (US) 2011-10-11 US disclosed
US-7541096-B2 Blue emitting, durable, organoelectrouminescent layers containing 2H-benzotriazole compounds; full color display panels; light emission efficiency and brightness CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-06-02 US disclosed
US-20080306217-A1 Low Molecular Weight Ethylene Interpolymers, Methods of Making, and Uses Thereof DOW GLOBAL TECHNOLOGIES LLC 2008-12-11 US disclosed