SCHEMBL10018489

SCHEMBL10018489

CCC(C)c1ccc(-c2ccc(-n3c4ccncc4c4cnccc43)cc2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 3/20 0.34
DYRK1A Q13627 2/20 0.34
GSK3B P49841 2/20 0.34
NFATC1 O95644 1/20 0.34
DHODH Q02127 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MCL1 Q07820 1/20 0.32
CYP17A1 P05093 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 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
SCHEMBL10018484 0.95 RXFP1 (0.37) ADH5DYRK1AGSK3BNFATC1RAB9A
SCHEMBL10018482 0.88 HTT (0.35) KMT2AHTTMEN1ALDH1A1MCL1
SCHEMBL261834 0.84 RXFP1 (0.40) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL13098376 0.81 AOC3 (0.36) ADH5DYRK1AGSK3BNFATC1HTT
SCHEMBL10018488 0.81 CYP19A1 (0.33) DYRK1AGSK3BNFATC1HTTALDH1A1
SCHEMBL5028258 0.80 CYP19A1 (0.38) ALDH1A1CYP17A1AOC3
SCHEMBL14424740 0.80 MAOA (0.42) ADH5DHODHCYP17A1AOC3
SCHEMBL12383089 0.78 RXFP1 (0.47) GSK3BRAB9ANPC1KMT2AMEN1
SCHEMBL10018487 0.78 ADH5 (0.36) ADH5DYRK1AGSK3BNFATC1HTT
SCHEMBL10018486 0.76 MAOA (0.41) HTTRXFP1

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