SCHEMBL25972174

SCHEMBL25972174

CCCc1ccnc(-c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 2/20 0.46
FFAR1 O14842 3/20 0.43
GRM5 P41594 2/20 0.43
ALOX15 P16050 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
LMNA P02545 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL586654 0.89 KCNH2 (0.49) KDM4ETDP1MAPK14ALDH1A1TP53
SCHEMBL16815413 0.79 KDM4E (0.53) KDM4ETDP1ALDH1A1TP53FFAR1
SCHEMBL4101559 0.79 SREBF2 (0.48) KDM4EALDH1A1L3MBTL1MEN1NPC1
SCHEMBL9026506 0.78 KCNH2 (0.39) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12539161 0.78 KDM4E (0.43) KDM4EALDH1A1L3MBTL1LMNATSHR
Dipyridyl SCHEMBL9115752 0.77 KDM4E (0.56) KDM4ETDP1ALDH1A1TP53ALOX15
SCHEMBL6084743 0.77 NPC1 (0.55) KDM4ETDP1ALDH1A1TP53FFAR1
SCHEMBL13531348 0.75 KDM4E (0.57) KDM4ETDP1TP53ALOX15L3MBTL1
SCHEMBL10368628 0.74 GRM5 (0.39) KDM4EALDH1A1FFAR1GRM5L3MBTL1
SCHEMBL776048 0.74 KDM4E (0.67) KDM4ETDP1ALDH1A1TP53GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185330-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-08-16 EP disclosed