SCHEMBL9968173

SCHEMBL9968173

CC(C)c1cc2c(cn1)c1cnccc1n2-c1cccc(-n2c3ccncc3c3cnc(C(C)C)cc32)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 5/20 0.35
CYP1A2 P05177 3/20 0.34
METAP2 P50579 3/20 0.34
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
MAOA P21397 5/20 0.33
MAOB P27338 5/20 0.33
FGFR1 P11362 1/20 0.33
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.32
ELANE P08246 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
PRMT5 O14744 1/20 0.31

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
SCHEMBL5030873 0.82 MAOA (0.42) CYP1A2METAP2MAOAMAOBFGFR1
SCHEMBL9968124 0.79 TOP2A (0.40) MAOAMAOBACHE
SCHEMBL9968245 0.77 CDK4 (0.35) CDK4CDK6FGFR1
SCHEMBL17208658 0.76 MAOA (0.53) CYP1A2METAP2MAOAMAOBFGFR1
SCHEMBL11910135 0.76 MAOA (0.53) CYP1A2METAP2MAOAMAOBFGFR1
SCHEMBL16640323 0.76 MAOA (0.43) MAT2ACYP1A2METAP2CDK4CDK6
SCHEMBL13098367 0.75 ELANE (0.48) MAT2AACHEELANE
SCHEMBL5028455 0.75 MAOA (0.39) CYP1A2METAP2MAOAMAOBFGFR1
SCHEMBL12396578 0.75 ALDH1A1 (0.43) CYP1A2METAP2MAOAMAOBFGFR1
SCHEMBL16625774 0.74 ACHE (0.43) CYP1A2METAP2MAOAMAOBFGFR1

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed