SCHEMBL4246200

SCHEMBL4246200

c1ccc(-c2ccc3nc4ccccc4nc3c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PI4KA P42356 1/20 0.55
PIK3CG P48736 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
KDM4E B2RXH2 7/20 0.50
NPC1 O15118 6/20 0.50
DHODH Q02127 1/20 0.49
LMNA P02545 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
METAP1 P53582 3/20 0.48
CYP1A2 P05177 2/20 0.48
POLB P06746 2/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47

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
SCHEMBL7952005 0.83 KDM4E (0.68) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL11369441 0.82 TGFBR1 (0.57) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL19916545 0.81 NPC1 (0.48) NPC1POLBSMN1; SMN2TGFBR1NQO2
SCHEMBL14063447 0.81 KDM4E (0.66) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
Phenazine SCHEMBL25380403 0.81 KDM4E (0.74) KDM4ENPC1LMNACCR1CCR5
SCHEMBL3210621 0.80 KDM4E (0.53) KDM4ENPC1LMNACCR1CCR5
SCHEMBL26260190 0.79 KDM4E (0.57) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL4420314 0.79 NPC1 (0.71) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL9838799 0.79 ALDH1A1 (0.52) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL31121089 0.79 ALDH1A1 (0.52) PIK3CDPIK3CAPI4KAPIK3CGPI4KB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009124699-A1 USE OF A MOLECULE AS SWITCHING ELEMENT FORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 2009-10-15 WO disclosed