SCHEMBL20828665

SCHEMBL20828665

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5ccc6oc7ccccc7c6c5-c5ccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7c(c6)sc6ccccc67)cc5)ccc5oc6ccccc6c45)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
WEE1 P30291 1/20 0.31
LIMK1 P53667 1/20 0.31
GPR3 P46089 1/20 0.31
PTPN1 P18031 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL20828655 1.00 ABCB1 (0.36) ABCB1ALDH1A1MAPTHPGDRAB9A
SCHEMBL20828552 0.94 PLA2G2A (0.32) ABCB1PLA2G2APLA2G4AWEE1LIMK1
SCHEMBL20828556 0.94 PLA2G2A (0.32) ABCB1PLA2G2APLA2G4AWEE1LIMK1
SCHEMBL20828667 0.94 ABCB1 (0.34) ABCB1ALDH1A1MAPTHPGDRAB9A
SCHEMBL17721427 0.88 F9 (0.36) ABCB1ALDH1A1MAPTHPGDRAB9A
SCHEMBL25872123 0.88 MAPT (0.34) ABCB1ALDH1A1MAPTHPGDRAB9A
SCHEMBL17721408 0.88 F9 (0.36) ABCB1ALDH1A1MAPTHPGDRAB9A
SCHEMBL25599830 0.87 HPGD (0.35) ABCB1ALDH1A1MAPTHPGDRAB9A
SCHEMBL20828561 0.87 MEN1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20828565 0.87 MEN1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019054599-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME (주)피엔에이치테크 2019-03-21 WO disclosed