SCHEMBL20224481

SCHEMBL20224481

c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
DHODH Q02127 1/20 0.37
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 6/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 3/20 0.32
GAA P10253 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
CYP1A2 P05177 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
SCHEMBL20224489 1.00 PDK2 (0.38) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL20224491 0.98 PDK2 (0.39) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL20224486 0.96 PDK2 (0.37) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL20224480 0.96 PDK2 (0.39) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL20224497 0.96 PDK2 (0.37) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL20224487 0.93 PDK2 (0.35) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL20224485 0.92 KMT2A (0.35) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL20224488 0.92 PDK2 (0.34) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL20224494 0.92 PDK2 (0.35) PDK2DHODHCYP19A1ALDH1A1TSHR
SCHEMBL18732056 0.91 KMT2A (0.34) PDK2ALDH1A1MAPTNPSR1MEN1

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