SCHEMBL18818643

SCHEMBL18818643

CCN(CC)c1ccc2nc3n(c2c1)c1nc2ccc(N(CC)CC)cc2n1c1nc2ccc(N(CC)CC)cc2n31

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.53
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
L3MBTL1 Q9Y468 7/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 6/20 0.42
MAPK1 P28482 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 2/20 0.42
BLM P54132 2/20 0.42
USP2 O75604 2/20 0.42
RAB9A P51151 2/20 0.42
NLRP3 Q96P20 2/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 5/20 0.41
HTT P42858 3/20 0.41

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
SCHEMBL18805386 0.92 TERT (0.46) TERTPDE3BPDE3AL3MBTL1ALDH1A1
SCHEMBL19699719 0.87 TERT (0.42) TERTPDE3BPDE3AL3MBTL1ALDH1A1
SCHEMBL18805389 0.78 QPCT (0.44) PDE3AKMT2ABLMSMN1; SMN2TSHR
SCHEMBL14112982 0.76 TERT (0.49) TERTPDE3BPDE3AL3MBTL1ALDH1A1
SCHEMBL18805397 0.74 KDR (0.37) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL18805396 0.72 BACE1 (0.38) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL15423130 0.72 TERT (0.74) TERTPDE3BPDE3AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL17975809 0.72 TERT (0.74) TERTPDE3BPDE3AL3MBTL1ALDH1A1
SCHEMBL19625911 0.70 ALDH1A1 (0.40) TERTPDE3BPDE3AALDH1A1MEN1
SCHEMBL18805371 0.70 IKBKB (0.49) ALDH1A1KMT2AMAPTMAPK1RAB9A

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-20170338446-A1 Organic Electroluminescence Element MERCK PATENT GMBH (DE) 2017-11-23 US disclosed
US-20170125715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2017-05-04 US disclosed