SCHEMBL19764720

SCHEMBL19764720

Cc1nccn1-c1nc(-c2ccccc2)nc(-c2nc(-c3ccccc3)nc(-n3ccnc3C)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PIK3CA P42336 2/20 0.51
MTOR P42345 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 4/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL15746078 0.83 KDR (0.49) MAOAMAOBL3MBTL1MEN1KMT2A
SCHEMBL15746081 0.83 L3MBTL1 (0.47) MAOAMAOBPIK3CAMTORL3MBTL1
SCHEMBL9026494 0.78 CYP3A4 (0.48) MAOAMAOBPIK3CAMTORCYP3A4
SCHEMBL5262523 0.75 MAOA (0.46) MAOAMAOBPIK3CAMTORL3MBTL1
SCHEMBL3669955 0.74 ADH5 (0.59) MAOAMAOBCYP3A4CYP2E1CYP2A6
SCHEMBL15746037 0.73 NPSR1 (0.40) MAOAMAOBPIK3CAMTORL3MBTL1
SCHEMBL15746026 0.73 KDR (0.41) L3MBTL1MEN1KMT2ALMNAUSP2
SCHEMBL9026902 0.73 KDR (0.53) KDR
SCHEMBL2336960 0.72 CYP3A4 (0.69) MAOAMAOBL3MBTL1CYP3A4CYP2E1
SCHEMBL29187775 0.71 LMNA (0.45) MAOAMAOBCYP3A4CYP2E1CYP2A6

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
US-20180013090-A1 TRANSPARENT ELECTRODE AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2018-01-11 US disclosed