SCHEMBL20180171

SCHEMBL20180171

C/C(=C\C=N)c1cccc(Nc2c(C=N)ccc3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 3/20 0.37
CDC25B P30305 3/20 0.37
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
GFER P55789 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34

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
SCHEMBL20180540 0.76 TDO2 (0.46) MEN1KMT2ATRPV1KCNJ11
SCHEMBL20180539 0.70 EGFR (0.42) L3MBTL1GAAMEN1KMT2APOLB
SCHEMBL20180219 0.64 ABCG2 (0.40) MEN1KMT2AKDM1ATP53MAPT
SCHEMBL25047056 0.63 CES2 (0.44) KMT2AKDM1A
SCHEMBL5084950 0.62 KDM1A (0.50) L3MBTL1HDAC4HDAC7HDAC6HDAC9
SCHEMBL14541400 0.62 KMT2A (0.46) L3MBTL1GAAMEN1KMT2APOLB
SCHEMBL14491355 0.59 CYP2A6 (0.54) L3MBTL1NPC1RAB9AMAPT
SCHEMBL2041558 0.58 ERN1 (0.46) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL21326973 0.58 KMT2A (0.46) L3MBTL1HDAC4HDAC7HDAC6HDAC9
SCHEMBL31536849 0.58 KDM1A (0.54) GAANPC1RAB9ACDC25BPOLB

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
WO-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed