SCHEMBL30807488

SCHEMBL30807488

COn1nnc2cc(C(N)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
HCAR3 P49019 9/20 0.48
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29751005 0.80 HCAR3 (0.73) NAMPTHCAR3KMT2AHPGDSMN1; SMN2
SCHEMBL21409085 0.80 HCAR3 (0.73) NAMPTHCAR3KMT2AHPGDSMN1; SMN2
SCHEMBL11018367 0.76 NAMPT (0.53) NAMPTHCAR3KMT2AHPGDHCAR2
SCHEMBL20588071 0.76 HCAR3 (0.76) NAMPTHCAR3KMT2AHPGDHCAR2
SCHEMBL11391092 0.74 HCAR3 (0.53) HCAR3HDAC3HDAC4HDAC1HDAC7
SCHEMBL13604188 0.74 KCNMA1 (0.42) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL9594526 0.73 HCAR3 (0.48) HCAR3HDAC3HDAC4HDAC1HDAC7
SCHEMBL16496056 0.73 FGFR1 (0.56) NAMPTHCAR3KMT2AHPGDSMN1; SMN2
SCHEMBL1249136 0.72 FGFR1 (0.46) NAMPTHCAR3HPGDSMN1; SMN2NPC1
SCHEMBL20908970 0.72 HDAC3 (0.35) HCAR3HDAC3HDAC4HDAC1HDAC7

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-2024043741-A1 AUTOTAXIN INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 2024-02-29 WO disclosed