SCHEMBL17899241

SCHEMBL17899241

c1ccc(-c2nc(-c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 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 3/20 0.40
PLA2G4A P47712 3/20 0.40
PLA2G10 O15496 1/20 0.40
MEN1 O00255 5/20 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
SCHEMBL23846040 0.96 KMT2A (0.41) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15501370 0.96 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL17899247 0.95 ENPP3 (0.41) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL17899228 0.93 ENPP3 (0.41) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15501313 0.93 ENPP3 (0.43) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15501305 0.93 ENPP3 (0.43) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15501400 0.92 MEN1 (0.46) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL15501465 0.91 PLA2G2A (0.41) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL15964280 0.90 MEN1 (0.47) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
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