SCHEMBL27620060

SCHEMBL27620060

CCCC(=N)CCC1CCN(C(=O)c2ccc3[c]c[nH]c3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.38
HTR4 Q13639 1/20 0.38
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
F2 P00734 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
F10 P00742 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL6015825 0.80 SPIN1 (0.48) HRH3
SCHEMBL6015819 0.75 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6015723 0.74 PARP1 (0.48) ALDH1A1
SCHEMBL6015833 0.74 KMT2A (0.52) KMT2AMEN1ALDH1A1HPGD
SCHEMBL27601533 0.73 ESR1 (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6015942 0.73 L3MBTL3 (0.61) KMT2AMEN1ALDH1A1
SCHEMBL6015913 0.72 SIGMAR1 (0.49) HRH3HPGD
SCHEMBL6015694 0.70 ALDH1A1 (0.49) ALDH1A1HPGDAKR1C3
SCHEMBL6015947 0.70 POLB (0.53) KMT2AMEN1HPGD
SCHEMBL10724903 0.68 HDAC3 (0.56) KMT2AMEN1ACHEHDAC3HDAC4

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-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN claimed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN disclosed