SCHEMBL31375604

SCHEMBL31375604

Cc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.73
ALDH1A1 P00352 2/20 0.73
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.56
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HTT P42858 4/20 0.53
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
CCR6 P51684 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
AGTR1 P30556 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL7103221 0.85 ALDH1A1 (1.00) GAAALDH1A1TDP1LMNAHDAC1
SCHEMBL5112618 0.83 LMNA (0.54) GAAALDH1A1LMNAHDAC6HTT
SCHEMBL10591754 0.83 POLB (0.71) GAAALDH1A1TDP1LMNAHTT
SCHEMBL29555730 0.83 GAA (0.70) GAAALDH1A1TDP1HDAC1HDAC6
SCHEMBL5122776 0.83 POLB (0.56) GAAALDH1A1TDP1LMNAHDAC1
SCHEMBL5539975 0.82 LMNA (0.72) GAAALDH1A1LMNAHDAC1HDAC6
SCHEMBL14604840 0.80 GAA (0.48) GAAALDH1A1TDP1LMNAHTT
SCHEMBL2998715 0.79 LMNA (0.71) GAAALDH1A1LMNAHDAC1SMN1; SMN2
SCHEMBL8167142 0.78 ALDH1A1 (0.69) GAAALDH1A1TDP1HDAC1HDAC6
SCHEMBL13427112 0.78 ALDH1A1 (0.83) GAAALDH1A1TDP1HDAC1HDAC6

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-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed