SCHEMBL10018488

SCHEMBL10018488

CCC(C)c1ccc(-n2c3ccncc3c3cnccc32)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
USP14 P54578 1/20 0.32
MAOA P21397 5/20 0.32
MAOB P27338 5/20 0.32
HTT P42858 2/20 0.32
ACHE P22303 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2D6 P10635 1/20 0.30
CMA1 P23946 1/20 0.30
NFATC1 O95644 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30

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
SCHEMBL10018486 0.94 MAOA (0.41) MAOAMAOBHTTACHEMAPT
SCHEMBL17570273 0.85 CYP19A1 (0.32) CYP19A1MAOAMAOBACHE
SCHEMBL10018489 0.81 ADH5 (0.34) HTTALDH1A1NFATC1GSK3BDYRK1A
SCHEMBL261834 0.79 RXFP1 (0.40) USP14MAOAMAOBACHEALDH1A1
SCHEMBL13098358 0.78 ALDH1A1 (0.46) CYP19A1USP14MAOAMAOBHTT
SCHEMBL10018482 0.78 HTT (0.35) HTTALDH1A1CMA1
SCHEMBL5028258 0.77 CYP19A1 (0.38) CYP19A1USP14MAOAMAOBACHE
SCHEMBL10018484 0.77 RXFP1 (0.37) MAOAMAOBHTTACHEMAPT
SCHEMBL17636100 0.76 MAOA (0.32) USP14MAOAMAOBACHEALDH1A1
SCHEMBL16356768 0.76 CYP19A1 (0.38) CYP19A1USP14MAOAMAOBACHE

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
US-8101699-B2 Electron-transporting polymers GENERAL ELECTRIC COMPANY (US) 2012-01-24 US disclosed
US-20100137538-A1 ELECTRON-TRANSPORTING POLYMERS GENERAL ELECTRIC COMPANY (US) 2010-06-03 US disclosed