SCHEMBL20224355

SCHEMBL20224355

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5cc6c(cc54)oc4ccccc46)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.35
AHR P35869 1/20 0.35
PLA2G2A P14555 3/20 0.34
PLA2G4A P47712 3/20 0.34
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
PLA2G10 O15496 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PGR P06401 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 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
SCHEMBL20224416 0.97 PDK2 (0.36) PDK2AHRPLA2G2APLA2G4AKMT2A
SCHEMBL20224360 0.97 AHR (0.37) PDK2AHRPLA2G2APLA2G4AKMT2A
SCHEMBL24039274 0.96 AHR (0.35) PDK2AHRPLA2G2APLA2G4AKMT2A
SCHEMBL20224354 0.96 AHR (0.38) PDK2AHRKMT2AMEN1ALDH1A1
SCHEMBL21887634 0.94 AHR (0.38) PDK2AHRKMT2AMEN1ALDH1A1
SCHEMBL18156774 0.94 AHR (0.38) PDK2AHRKMT2AMEN1ALDH1A1
SCHEMBL18732145 0.94 KMT2A (0.37) PDK2AHRPLA2G2APLA2G4AKMT2A
SCHEMBL20224415 0.93 AHR (0.38) PDK2AHRPLA2G2APLA2G4AKMT2A
SCHEMBL24039812 0.92 PDK2 (0.37) PDK2AHRPLA2G2APLA2G4AKMT2A
SCHEMBL24039283 0.92 PLA2G2A (0.39) PDK2AHRPLA2G2APLA2G4AKMT2A

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