SCHEMBL17899228

SCHEMBL17899228

c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPT P10636 7/20 0.41
HPGD P15428 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 6/20 0.40
PLA2G2A P14555 2/20 0.40
PLA2G4A P47712 2/20 0.40

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
SCHEMBL17899247 0.98 ENPP3 (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL15501305 0.95 ENPP3 (0.43) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL15501313 0.95 ENPP3 (0.43) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL15501370 0.94 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL17899241 0.93 ALDH1A1 (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL15501465 0.93 PLA2G2A (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL23846040 0.92 KMT2A (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL19165754 0.91 TNF (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL19165181 0.91 TNF (0.41) ENPP3ENPP1ALDH1A1MAPTHPGD
SCHEMBL15501490 0.90 MEN1 (0.45) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2

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-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed