SCHEMBL17379751

SCHEMBL17379751

Clc1nc(-c2ccccc2)nc(-c2cccc(C3=CC=CCC3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
HPGD P15428 7/20 0.36
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 5/20 0.35
HTT P42858 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
PDE5A O76074 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.32
GLA P06280 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL23312802 0.96 ALDH1A1 (0.35) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL24726878 0.93 MEN1 (0.30) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL25944768 0.92 MEN1 (0.33) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL24727410 0.92 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL23597578 0.91 ALDH1A1 (0.35) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL24408545 0.90 KMO (0.37) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL24273020 0.90 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL22650686 0.89 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL27446980 0.86 MEN1 (0.36) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL19791233 0.86 L3MBTL1 (0.37) MEN1KMT2AHPGDALDH1A1L3MBTL1

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-2015192939-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-23 WO disclosed