SCHEMBL19791233

SCHEMBL19791233

C1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6)c5)c4)c3)n2)=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
KMO O15229 1/20 0.34
GP6 Q9HCN6 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL24408545 0.93 KMO (0.37) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL18904706 0.92 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL19791314 0.92 TSHR (0.34) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL26360520 0.91 MEN1 (0.33) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL22384599 0.91 MEN1 (0.33) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL24521128 0.91 SMN1; SMN2 (0.39) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL23729317 0.91 MEN1 (0.33) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL23597578 0.90 ALDH1A1 (0.35) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL27456903 0.89 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AMAPTHPGD
SCHEMBL19526652 0.89 NPC1 (0.43) MEN1KMT2AMAPTHPGDALDH1A1

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-3272833-A1 COMPOSITION FOR ORGANIC PHOTOELECTRONIC ELEMENT, ORGANIC PHOTOELECTRONIC ELEMENT, AND DISPLAY APPARATUS Samsung SDI Co., Ltd. (KR) 2018-01-24 EP disclosed