SCHEMBL17449882

SCHEMBL17449882

C1=CCC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)n2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 7/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 3/20 0.35
PKM P14618 3/20 0.35
LMNA P02545 5/20 0.34
HIF1A Q16665 5/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSP90AA1 P07900 1/20 0.34
SLC2A1 P11166 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL15828113 0.90 GRM5 (0.36) SMN1; SMN2RAB9ANPC1KDM4ETDP1
SCHEMBL19559923 0.85 SMN1; SMN2 (0.33) SMN1; SMN2RAB9ANPC1KDM4ETP53
SCHEMBL18698101 0.84 L3MBTL1 (0.40) RAB9ANPC1TDP1HTTKMT2A
SCHEMBL18902822 0.83 KDM4E (0.34) SMN1; SMN2RAB9ANPC1KDM4ETDP1
SCHEMBL18677038 0.81 ADORA2A (0.34) KDM4ELMNAKMT2AALDH1A1MAPT
SCHEMBL19074781 0.81 L3MBTL1 (0.32) SMN1; SMN2RAB9ANPC1KDM4EKMT2A
SCHEMBL19559922 0.80 L3MBTL1 (0.33) SMN1; SMN2RAB9ANPC1HTTKMT2A
SCHEMBL21010634 0.80 PDK2 (0.33) SMN1; SMN2RAB9ANPC1AKT1AKT2
SCHEMBL12148394 0.79 KDM4E (0.57) SMN1; SMN2RAB9ANPC1KDM4ETDP1
SCHEMBL17050894 0.79 KDM4E (0.57) SMN1; SMN2RAB9ANPC1KDM4ETDP1

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-20160020404-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020404-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 US disclosed