SCHEMBL17944487

SCHEMBL17944487

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)cc4)c4ccccc34)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
AHR P35869 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PLA2G2A P14555 3/20 0.37
PLA2G4A P47712 3/20 0.37
ALOX5 P09917 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL17944496 0.96 ALDH1A1 (0.40) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL126758 0.96 ALDH1A1 (0.41) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL17932129 0.95 HCRTR1 (0.39) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL17944461 0.95 ALDH1A1 (0.41) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL17945597 0.94 PLA2G2A (0.40) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL24341856 0.94 ALDH1A1 (0.38) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL17944544 0.92 CASP3 (0.38) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL26950483 0.92 CASP3 (0.39) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL22908120 0.91 PLA2G2A (0.40) MAOAALDH1A1MAPTHPGDKMT2A
SCHEMBL19081531 0.91 AHR (0.36) ALDH1A1MAPTHPGDKMT2AKDM4E

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed