SCHEMBL6509452

SCHEMBL6509452

Cc1nc(-c2ccccn2)c(C)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
NPC1 O15118 4/20 0.55
LMNA P02545 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
PDE10A Q9Y233 1/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL31038273 0.98 KDM4E (0.53) KDM4ENPC1LMNACCR1CCR5
SCHEMBL20371378 0.81 KDM4E (0.59) KDM4ENPC1LMNACCR1CCR5
SCHEMBL26242534 0.81 KDM4E (0.50) KDM4ENPC1LMNACCR1CCR5
SCHEMBL7259618 0.77 KDM4E (0.50) KDM4ENPC1LMNACCR1CCR5
SCHEMBL13063628 0.77 NPC1 (0.59) KDM4ENPC1LMNACCR1CCR5
SCHEMBL28789289 0.77 KDM4E (0.50) KDM4ENPC1LMNACCR1CCR5
SCHEMBL2178564 0.76 KDM4E (0.46) KDM4ENPC1LMNACCR1CCR5
SCHEMBL17368668 0.76 KDM4E (0.53) KDM4ENPC1LMNACCR1CCR5
SCHEMBL12409589 0.75 KDM4E (0.45) KDM4ENPC1LMNACCR1CCR5
SCHEMBL20348127 0.74 KDM4E (0.51) KDM4ENPC1LMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005036667-A1 N-DOPING OF ORGANIC SEMI-CONDUCTORS NOVALED GMBH (DE) 2005-04-21 WO claimed
WO-2025003282-A2 ATP PRODUCTION FROM ELECTRICITY WITH A NEW-TO-NATURE ELECTROBIOLOGICAL MODULE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-01-02 WO disclosed
EP-4484566-A1 ATP PRODUCTION FROM ELECTRICITY WITH A NEW-TO-NATURE ELECTROBIOLOGICAL MODULE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-01-01 EP disclosed
CN-118373827-A Molecular capsule based on cup [4] pyrrole supermolecule macrocycle and preparation method and application thereof 上海大学 2024-07-23 CN disclosed
CN-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed
CN-116848463-A Photosensitive coloring composition, cured product, partition wall, organic electroluminescent element, and image display device 三菱化学株式会社 2023-10-03 CN disclosed
WO-2017031380-A1 PHOTOACTIVATED MOLECULES FOR LIGHT-INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-23 WO disclosed
EP-0441894-A4 ELECTROCHEMILUMINESCENT REACTION UTILIZING AMINE-DERIVED REDUCTANT 1992-09-16 EP disclosed
EP-0441875-A4 ENHANCED ELECTROCHEMILUMINESCENCE 1992-03-11 EP disclosed
EP-0446245-A4 ELECTROCHEMILUMINESCENT ASSAYS 1991-11-13 EP disclosed
EP-0446245-A1 ELECTROCHEMILUMINESCENT ASSAYS IGEN, INC. (US) 1991-09-18 EP disclosed
EP-0441875-A1 ENHANCED ELECTROCHEMILUMINESCENCE. IGEN INC (US) 1991-08-21 EP disclosed
EP-0441894-A1 ELECTROCHEMILUMINESCENT REACTION UTILIZING AMINE-DERIVED REDUCTANT IGEN, INC. (US) 1991-08-21 EP disclosed
WO-1990005296-A1 ELECTROCHEMILUMINESCENT REACTION UTILIZING AMINE-DERIVED REDUCTANT IGEN, INC. (US) 1990-05-17 WO disclosed
WO-1990005302-A1 ENHANCED ELECTROCHEMILUMINESCENCE IGEN, INC. (US) 1990-05-17 WO disclosed
WO-1990005301-A1 ELECTROCHEMILUMINESCENT ASSAYS IGEN, INC. (US) 1990-05-17 WO disclosed