SCHEMBL17127151

SCHEMBL17127151

C=Cc1ccc(-c2cc(-c3ncccn3)cc(-c3ncccn3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.38
CLK4 Q9HAZ1 3/20 0.37
ADRB2 P07550 1/20 0.37
HDAC2 Q92769 1/20 0.36
CYP2A6 P11509 1/20 0.35
DYRK1A Q13627 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
GSK3B P49841 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
SCHEMBL16180699 0.81 ALDH1A1 (0.65) ALDH1A1TSHRHDAC2DAPK3JAK2
SCHEMBL17127133 0.80 KDM4E (0.43) ALDH1A1TSHRCYP2A6PIK3CDPI4KA
SCHEMBL29637612 0.79 CLK4 (0.54) ALDH1A1CLK4ADRB2CYP2A6DYRK1A
SCHEMBL29637613 0.79 CLK4 (0.54) ALDH1A1CLK4ADRB2CYP2A6DYRK1A
SCHEMBL29637614 0.79 CLK4 (0.54) ALDH1A1CLK4ADRB2CYP2A6DYRK1A
SCHEMBL31298969 0.79 ALDH1A1 (0.61) ALDH1A1TSHRHDAC2DAPK3JAK2
SCHEMBL17127164 0.78 ALDH1A1 (0.41) ALDH1A1TSHRCLK4ADRB2HDAC2
SCHEMBL368887 0.77 ALDH1A1 (0.59) ALDH1A1TSHRHDAC2TDP1TP53
SCHEMBL17127140 0.75 MEN1 (0.50) ALDH1A1TSHRTDP1POLB
SCHEMBL594542 0.74 ALDH1A1 (0.55) ALDH1A1TSHRHDAC2DAPK3JAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9847490-B2 Copolymer, material for organic electronic element, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2017-12-19 US disclosed
US-9847490-B2 Copolymer, material for organic electronic element, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2017-12-19 US disclosed
US-20150280131-A1 COPOLYMER, MATERIAL FOR ORGANIC ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-10-01 US disclosed
US-20150280131-A1 COPOLYMER, MATERIAL FOR ORGANIC ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-10-01 US disclosed