SCHEMBL30473391

SCHEMBL30473391

O=C(Nc1cccc(-c2n[nH]c(=O)o2)c1)C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ ALPL P05186 3/20 0.53
▸ ALPI P09923 3/20 0.53
▸ ALPG P10696 2/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ RIN1 Q13671 1/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ ROCK2 O75116 2/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL30473393 0.90 ROCK2 (0.54) KMT2AALPLALPIALPGABL1
SCHEMBL25214047 0.86 ENPP2 (0.56) KMT2AALPLALPIALPG
SCHEMBL25262015 0.77 ENPP2 (0.63) —
SCHEMBL30250097 0.74 KMT2A (0.68) KMT2AALPLALPIALPGABL1
SCHEMBL30473349 0.74 ENPP2 (0.48) —
SCHEMBL25215042 0.74 ENPP2 (0.48) —
SCHEMBL25212405 0.73 ENPP2 (0.50) —
SCHEMBL30473335 0.73 ENPP2 (0.50) —
SCHEMBL25209868 0.68 ENPP2 (0.55) KMT2AALPLALPIALPGPOLB
SCHEMBL30250001 0.68 ALPL (0.63) KMT2AALPLALPIALPGABL1

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-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 — — WO disclosed
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