SCHEMBL13445191

SCHEMBL13445191

CN1c2ccccc2Oc2ccc(I)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
P2RX4 Q99571 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIM1 P11309 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP3 P42574 1/20 0.35
MAOA P21397 1/20 0.34
AHR P35869 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
SCHEMBL47007 0.82 KDM4E (0.55) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL31067286 0.82 KDM4E (0.55) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
Hydrogen Sulfide SCHEMBL28845788 0.80 KDM4E (0.53) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL12841614 0.80 KDM4E (0.47) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL21497997 0.79 KDM4E (0.46) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL26840780 0.79 MEN1 (0.47) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL16810785 0.77 KDM4E (0.45) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL13706555 0.77 CASP3 (0.46) KDM4EALDH1A1MAPTPIM1MEN1
SCHEMBL12776591 0.76 SMN1; SMN2 (0.59) KDM4EALDH1A1P2RX4SMN1; SMN2GAA
SCHEMBL1102428 0.76 KDM4E (0.44) KDM4EALDH1A1P2RX4SMN1; SMN2GAA

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
WO-2022109329-A1 TRICYCLIC COMPOUNDS AND RELATED COMPOSITIONS, ZINC ELECTROCHEMICAL CELLS, BATTERIES, METHODS AND SYSTEMS ALIONYX ENERGY SYSTEMS (US) 2022-05-27 WO disclosed
EP-2161319-A2 Benzo(c)phenanthrene derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-03-10 EP disclosed