SCHEMBL30620133

SCHEMBL30620133

CC(=O)Nc1ccccc1CN=NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTPN1 P18031 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL7522410 0.80 L3MBTL1 (0.71) BRD4L3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL4579623 0.80 ALDH1A1 (0.52) BRD4ALDH1A1HPGDCYP2C19POLB
SCHEMBL6475322 0.76 ALDH1A1 (0.55) BRD4L3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL1644965 0.76 MAPK1 (0.59) ALDH1A1HPGDPOLBMAPK1SMN1; SMN2
SCHEMBL3054871 0.75 NR1H4 (0.59) BRD4ALDH1A1HPGDCYP2C19POLB
SCHEMBL31226210 0.75 NR1H4 (0.59) BRD4ALDH1A1HPGDCYP2C19POLB
SCHEMBL30168125 0.74 ALDH1A1 (0.59) BRD4ALDH1A1HPGDCYP2C19POLB
SCHEMBL3150784 0.74 ALDH1A1 (0.59) BRD4ALDH1A1HPGDCYP2C19POLB
SCHEMBL7055476 0.74 ALDH1A1 (0.57) BRD4L3MBTL1ALDH1A1HPGDCYP2C19
SCHEMBL4203072 0.74 ALDH1A1 (0.49) BRD4ALDH1A1HPGDCYP2C19POLB

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
CN-116594228-A Method for manufacturing liquid crystal panel, and liquid crystal display device 深圳秋田微电子股份有限公司 2023-08-15 CN claimed
CN-116594228-A Method for manufacturing liquid crystal panel, and liquid crystal display device 深圳秋田微电子股份有限公司 2023-08-15 CN disclosed