SCHEMBL10915345

SCHEMBL10915345

CCCC(CCC)N(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
GAA P10253 1/20 0.63
MCL1 Q07820 6/20 0.39
BCL2L1 Q07817 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
CDC25B P30305 3/20 0.38
CDC25A P30304 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL10913804 0.85 KMT2A (0.62) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL19661669 0.84 KMT2A (0.64) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9009958 0.84 KMT2A (0.67) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9010008 0.83 KMT2A (0.65) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9629674 0.81 ALDH1A1 (0.71) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9618590 0.81 KMT2A (0.78) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29570529 0.80 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6205557 0.80 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL264702 0.80 ALDH1A1 (0.85) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL39206 0.79 KMT2A (1.00) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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
EP-0176161-A1 Novel fluoran compounds and production and use thereof TAOKA CHEMICAL CO., LTD (JP) 1986-04-02 EP disclosed