SCHEMBL19985975

SCHEMBL19985975

c1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cc3)cc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL19985959 0.94 ESR2 (0.33) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL19985934 0.92 MAPT (0.32) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL19985926 0.91 MAPT (0.34) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL19985908 0.88 TP53 (0.32) KDM4EMAPT
SCHEMBL19985947 0.87 ESR2 (0.36) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL19986004 0.86 GPR3 (0.33) MAPT
SCHEMBL17405705 0.86 MAPT (0.35) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL17405417 0.86 MAPT (0.35) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL17228965 0.86 MAPT (0.35) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL19985911 0.86 PRKDC (0.33) MAPTESR2

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed