SCHEMBL14770899

SCHEMBL14770899

COc1ccccc1C1=N/C(=C\c2[nH]c(-c3ccccc3OC)cc2-c2ccccc2)C(c2ccccc2)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MPO P05164 1/20 0.37
CHUK O15111 1/20 0.37
INSR P06213 1/20 0.37

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
SCHEMBL12851903 0.80 GCGR (0.34) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL12851691 0.76 ALDH1A1 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL12851834 0.76 ALDH1A1 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14770901 0.75 MPO (0.49) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL15305012 0.65 GCGR (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL294721 0.63 ALDH1A1 (0.58) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL30136447 0.63 ALDH1A1 (0.58) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL6937695 0.62 MAPK14 (0.49) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL31078212 0.62 MPO (0.62) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL30017788 0.61 ALDH1A1 (0.56) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1

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
WO-2013035303-A1 ORGANIC THIN FILM SOLAR CELL MATERIAL 出光興産株式会社 (JP) 2013-03-14 WO disclosed