SCHEMBL19622641

SCHEMBL19622641

C1=CCCC(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc3)n2)=C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
DHFR P00374 1/20 0.30
NTSR1 P30989 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
SCHEMBL13191089 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23729317 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22384599 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL26772404 0.86 GP6 (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27456903 0.85 L3MBTL1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18904706 0.83 L3MBTL1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL25733942 0.82 ESR1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19791233 0.82 L3MBTL1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22766670 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21709037 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD

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-3246963-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-11-22 EP disclosed