SCHEMBL44293

SCHEMBL44293

O=C(Cc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM5 P41594 3/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
MGLL Q99685 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL44711 0.90 MAPT (0.43) KMT2AKCNH2LMNA
SCHEMBL44702 0.84 KCNH2 (0.44) KMT2AALDH1A1KCNH2L3MBTL1LMNA
SCHEMBL44623 0.84 FFAR1 (0.42) KMT2ATSHRALDH1A1L3MBTL1MAPK1
SCHEMBL45433 0.83 GLA (0.37) KMT2AALDH1A1
SCHEMBL44472 0.81 HTT (0.40) KMT2ATSHRMAPK1
SCHEMBL44354 0.80 HPGD (0.45) KMT2ATSHRALDH1A1HPGD
SCHEMBL44365 0.80 NOTUM (0.50) KMT2ATSHRALDH1A1L3MBTL1MAPK1
SCHEMBL44277 0.79 MEN1 (0.42) KMT2ATSHRALDH1A1KCNH2LMNA
SCHEMBL44304 0.79 KCNH2 (0.43) KMT2AALDH1A1KCNH2LMNAMAPK1
SCHEMBL44310 0.79 HPGD (0.50) KMT2ATSHRALDH1A1HPGD

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-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed