SCHEMBL19918535

SCHEMBL19918535

Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(C2C=CC(c3ccccc3)=CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 3/20 0.31
KDM4E B2RXH2 2/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL24727514 0.97 MEN1 (0.34) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL24658220 0.92 MEN1 (0.33) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL25022892 0.85 ESR1 (0.35) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL20961193 0.85
SCHEMBL15468611 0.83 MEN1 (0.35) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL22243889 0.82 NR1I3 (0.38) MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL20403490 0.82 L3MBTL1 (0.47) MEN1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL25801357 0.81 MEN1 (0.32) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL19559952 0.81 NPC1 (0.35) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL19791293 0.81 GPR55 (0.34) MEN1KMT2AHTTALDH1A1HPGD

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-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed