SCHEMBL28154000

SCHEMBL28154000

C1=CC=CNC=C1.c1ccc2c(c1)Cc1ncccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.40
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ PLK4 O00444 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ CDK8 P49336 1/20 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
SCHEMBL51294 0.86 METAP2 (0.46) METAP2DRD2DRD4DRD3CYP1A2
SCHEMBL27174135 0.86 METAP2 (0.46) METAP2DRD2DRD4DRD3CYP1A2
SCHEMBL29360004 0.86 METAP2 (0.46) METAP2DRD2DRD4DRD3CYP1A2
SCHEMBL30011414 0.86 METAP2 (0.46) METAP2DRD2DRD4DRD3CYP1A2
Fluorene SCHEMBL27461940 0.80 MAOA (0.48) METAP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10258112 0.73 METAP2 (0.41) METAP2DRD2DRD4DRD3CYP1A2
SCHEMBL6025692 0.73 MAOA (0.61) CYP1A2CYP2C19MAOAKDM4EALDH1A1
SCHEMBL585349 0.72 TDP1 (0.42) METAP2CYP1A2CYP3A4KDM4ELMNA
Anthrone SCHEMBL27433230 0.70 MAOA (0.69) CYP1A2CYP2C19MAOAKDM4ENPC1
SCHEMBL9267882 0.70 KMT2A (0.43) METAP2DRD2CYP1A2CYP2C19LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106910833-A organic light emitting device 三星显示有限公司 2017-06-30 — — CN claimed
CN-106910834-A Organic light emitting device 三星显示有限公司 2017-06-30 — — CN disclosed
CN-106910833-A organic light emitting device 三星显示有限公司 2017-06-30 — — CN disclosed
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