SCHEMBL29136879

SCHEMBL29136879

Cc1ccnc(C2C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])cc(Cl)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.36
ITK Q08881 1/20 0.36
RAB9A P51151 2/20 0.36
MAP4K1 Q92918 2/20 0.35
ABL1 P00519 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL29136877 1.00 KMT2A (0.42) KMT2AMEN1MAPTNPC1POLB
SCHEMBL29878996 0.84 MAP4K1 (0.39) KMT2AMEN1MAPTNPC1POLB
SCHEMBL29303339 0.84 MAP4K1 (0.39) KMT2AMEN1MAPTNPC1POLB
SCHEMBL29137009 0.84 MAPK14 (0.39) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL29137012 0.84 MAPK14 (0.39) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL24737858 0.78 TYK2 (0.41) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL29940136 0.78 TYK2 (0.41) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL1704102 0.73 KMT2A (0.50) KMT2AMEN1MAPTNPC1POLB
SCHEMBL30715078 0.69 CCR1 (0.40) KMT2AMEN1MAPTNPC1LMNA
SCHEMBL29137064 0.69 MAP4K1 (0.38) LMNASMN1; SMN2ALDH1A1ITKMAP4K1

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
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed