SCHEMBL30128320

SCHEMBL30128320

CCC(O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
TP53 P04637 1/20 0.48
MAPK1 P28482 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CASP7 P55210 1/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
HCAR3 P49019 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KAT2B Q92831 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 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
SCHEMBL11405395 0.83 HCAR3 (0.58) KMT2AMEN1TP53MAPK1TDP1
SCHEMBL13598830 0.82 HCAR3 (0.61) KMT2AMEN1TP53MAPK1TDP1
SCHEMBL128849 0.81 KMT2A (0.53) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL30128459 0.81 KMT2A (0.53) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL14258536 0.81 MEN1 (0.54) KMT2AMEN1MAPK1TDP1L3MBTL1
SCHEMBL28062163 0.80 KMT2A (0.53) KMT2AMEN1TP53MAPK1TDP1
SCHEMBL688641 0.80 HCAR3 (0.52) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL13116566 0.78 HCAR3 (0.50) KMT2AMEN1TP53MAPK1TDP1
SCHEMBL28062168 0.78 KMT2A (0.46) KMT2AMEN1TP53MAPK1TDP1
SCHEMBL14454666 0.78 ALDH1A1 (0.54) KMT2AMEN1TP53ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530239-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2024-08-23 CN disclosed
CN-115626927-B Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2024-01-02 CN disclosed
CN-115697989-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-02-03 CN disclosed
CN-115626927-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-01-20 CN disclosed