SCHEMBL30848946

SCHEMBL30848946

CCOC(=O)Cc1ccc(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
LMNA P02545 5/20 0.55
ALDH1A1 P00352 4/20 0.55
POLB P06746 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GALR2 O43603 1/20 0.55
MITF O75030 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.55
XBP1 P17861 1/20 0.55
CCR6 P51684 1/20 0.55
MAPT P10636 5/20 0.52
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 3/20 0.48
L3MBTL1 Q9Y468 2/20 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
SCHEMBL14677034 1.00 KMT2A (0.66) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL14684993 0.89 KMT2A (0.51) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL3587344 0.88 KMT2A (0.56) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL30224761 0.88 KMT2A (0.53) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL13536801 0.84 NPSR1 (0.59) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL31287241 0.83 NPSR1 (0.58) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL3850700 0.83 KMT2A (0.65) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL25400422 0.81 LMNA (0.65) KMT2ALMNAALDH1A1POLBMAPT
SCHEMBL4018126 0.81 KMT2A (0.60) KMT2ALMNAALDH1A1POLBNPSR1
SCHEMBL14677010 0.81 KMT2A (0.48) KMT2ALMNAALDH1A1POLBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118742550-A Methionine adenosyltransferase inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-10-01 CN disclosed
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed