SCHEMBL28028736

SCHEMBL28028736

COc1cccc(C=NNC(=O)c2cc3cc(NC(=O)c4ccccc4)ccc3[nH]2)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.70
MEN1 O00255 10/20 0.70
POLB P06746 6/20 0.70
MAPT P10636 4/20 0.65
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HPGD P15428 1/20 0.65
PTBP1 P26599 1/20 0.65
KDM4E B2RXH2 3/20 0.64
AHR P35869 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ASF1A Q9Y294 1/20 0.51
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51

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
SCHEMBL28028734 1.00 KMT2A (0.70) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL28028265 0.90 KMT2A (0.74) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL28028264 0.90 KMT2A (0.74) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL28028263 0.77 MAOA (0.58) KMT2AMEN1POLBMAPTLMNA
SCHEMBL28028260 0.77 MAOA (0.58) KMT2AMEN1POLBMAPTLMNA
SCHEMBL12388106 0.73 LMNA (0.73) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL19296739 0.72 LMNA (0.71) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL10466165 0.72 MAOA (0.71) KMT2APOLBMAPTALDH1A1LMNA
SCHEMBL7468908 0.71 KDM4E (0.66) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL30193404 0.71 MAPT (0.84) KMT2AMEN1POLBMAPTALDH1A1

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-104860866-B 5- (substitution carbon acylamino) -1H- indoles -2- carbohydrazide derivatives and its preparation method and application 厦门大学 2018-07-17 CN disclosed
CN-104860866-A 5-(substituted carbonylamino)-1H-indole-2-carbohydrazide derivatives as well as preparation method and application thereof UNIV XIAMEN 2015-08-26 CN disclosed