SCHEMBL17320276

SCHEMBL17320276

c1ccc(-c2cc(-c3cc(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c3)cc(-c3ccccn3)c2-c2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.49
KDM4E B2RXH2 5/20 0.48
LMNA P02545 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 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
CYP2A6 P11509 1/20 0.44
KDR P35968 1/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 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
SCHEMBL11965539 0.92 KDM4E (0.56) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL11965542 0.89 TGFBR1 (0.49) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL16383311 0.88 KDM4E (0.52) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL4124154 0.87 TGFBR1 (0.47) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL31618894 0.85 TGFBR1 (0.46) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL27992763 0.84 KDM4E (0.52) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL12914272 0.83 TGFBR1 (0.47) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL12914240 0.83 GRM5 (0.49) TGFBR1KDM4ELMNACCR1CCR5
SCHEMBL22874249 0.82 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18121035 0.82 CYP2A6 (0.60) KDM4ECYP1A2CYP2A6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150357581-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT KONICA MINOLTA INC. (JP) 2015-12-10 US disclosed
US-20150357581-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT KONICA MINOLTA INC. (JP) 2015-12-10 US disclosed