SCHEMBL20224299

SCHEMBL20224299

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.37
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TSHR P16473 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 3/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 3/20 0.31
CYP1A2 P05177 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
CYP1A1 P04798 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
SCHEMBL20224295 1.00 PDK2 (0.37) PDK2DHODHALDH1A1TSHRKMT2A
SCHEMBL20224305 0.97 PDK2 (0.38) PDK2DHODHALDH1A1TSHRKMT2A
SCHEMBL20224297 0.97 ALDH1A1 (0.37) PDK2DHODHALDH1A1TSHRKMT2A
SCHEMBL20224306 0.95 PDK2 (0.36) PDK2DHODHALDH1A1TSHRKMT2A
SCHEMBL20224298 0.95 PDK2 (0.38) PDK2DHODHALDH1A1TSHRKMT2A
SCHEMBL20224308 0.93 HSD17B10 (0.35) PDK2DHODHALDH1A1TSHRKMT2A
SCHEMBL20224303 0.92 MAPT (0.34) ALDH1A1TSHRKMT2AHSD17B10MAPT
SCHEMBL20224301 0.92 PDK2 (0.34) PDK2DHODHALDH1A1TSHRKMT2A
SCHEMBL19008441 0.91 MAPT (0.35) ALDH1A1TSHRKMT2AHSD17B10MAPT
SCHEMBL20224310 0.91 PDK2 (0.34) PDK2DHODHALDH1A1TSHRKMT2A

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-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed