SCHEMBL19563147

SCHEMBL19563147

O=C(OCc1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.62
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DHODH Q02127 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTB4R Q15722 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL19563158 0.99 MCL1 (0.64) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL19563151 0.86 KMT2A (0.53) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL4267162 0.85 MCL1 (0.58) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL19563061 0.84 KMT2A (0.59) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL19563154 0.83 RAB9A (0.63) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL24859020 0.83 NPC1 (0.51) SLC6A2SLC6A3KMT2ATDP1DHODH
SCHEMBL19563149 0.81 TDP1 (0.62) SLC6A2SLC6A3KMT2ATDP1DHODH
SCHEMBL19563152 0.81 KMT2A (0.54) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL19563157 0.81 RAB9A (0.63) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL24858999 0.78 NPC1 (0.58) SLC6A2SLC6A3KMT2ATDP1DHODH

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
EP-3032606-B1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2017-11-08 EP disclosed