SCHEMBL20224486

SCHEMBL20224486

c1ccc(-c2nc(-c3cccnc3)cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.37
CYP19A1 P11511 1/20 0.35
DHODH Q02127 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
F2 P00734 1/20 0.33
CYP2C9 P11712 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL20224497 0.97 PDK2 (0.37) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224489 0.96 PDK2 (0.38) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224481 0.96 PDK2 (0.38) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224487 0.96 PDK2 (0.35) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224491 0.95 PDK2 (0.39) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224480 0.94 PDK2 (0.39) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224488 0.93 PDK2 (0.34) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224494 0.93 PDK2 (0.35) PDK2CYP19A1DHODHGPR84ALDH1A1
SCHEMBL20224485 0.92 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL19862242 0.90 PDK2 (0.35) PDK2CYP19A1DHODHGPR84ALDH1A1

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