SCHEMBL8771879

SCHEMBL8771879

O=CCN1CCN(c2ccc(C(=O)Nc3ccc4c(ccn4-c4ccc(NC(=O)C5CC5)cc4)c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 6/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
EPHX2 P34913 1/20 0.39
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1665790 0.89 KMT2A (0.46) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL1665304 0.86 ABL1 (0.45) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL13964566 0.82 KMT2A (0.39) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL13964567 0.77 KMT2A (0.42) KMT2ARAB9AEPHX2
SCHEMBL13964564 0.77 F2 (0.41) KMT2AMEN1SMN1; SMN2EPHX2
SCHEMBL1664406 0.75 NPC1 (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8771742 0.74 TNIK (0.51) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL1666784 0.73 SMYD3 (0.46) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL1664229 0.73 MAOB (0.50) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL1664647 0.73 MAOB (0.53) KMT2AMAPTMEN1NPC1RAB9A

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-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed