SCHEMBL4933697

SCHEMBL4933697

C=CCn1c2cc(Br)ccc2c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
ATM Q13315 1/20 0.38
MAPT P10636 3/20 0.36
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL3370631 0.85 MAPT (0.50) ALDH1A1KMT2ACASP1CASP7HSD17B10
SCHEMBL6422036 0.77 CYP3A4 (0.35) ALDH1A1KMT2ACASP1CASP7HSD17B10
SCHEMBL7038026 0.77 HPGD (0.41) ALDH1A1KMT2AHSD17B10ATMMAPT
SCHEMBL19423963 0.74 PDGFRA (0.34) ALDH1A1KMT2ACASP1CASP7HSD17B10
SCHEMBL29556340 0.74 MAPT (0.44) ALDH1A1KMT2AHSD17B10CCNB2CDK1
SCHEMBL19056399 0.74 MAPT (0.44) ALDH1A1KMT2AHSD17B10CCNB2CDK1
SCHEMBL553110 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10ATMMAPT
SCHEMBL31171906 0.72 MAPT (0.37) MAPTDNM1
SCHEMBL11066802 0.72 MAPT (0.38) ALDH1A1KMT2ACASP1CASP7HSD17B10
SCHEMBL146503 0.71 CYP1A2 (0.56) ALDH1A1KMT2AMAPTCYP3A4MEN1

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-20080054794-A1 Organic Electroluminescence Device, Image Display Apparatus and Lighting Apparatus Including the Same, Charge Transport Material and Charge Transport Layer Forming Ink Including the Same Fujiki, Michiya (JP) 2008-03-06 US disclosed
WO-2006001469-A2 ORGANIC ELECTROLUMINESCENCE DEVICE, IMAGE DISPLAY APPARATUS AND LIGHTING APPARATUS INCLUDING THE SAME CHARGE TRANSPORT MATERIAL SHARP KABUSHIKI KAISHA (JP) 2006-01-05 WO disclosed