SCHEMBL6202101

SCHEMBL6202101

O=C(c1ccccc1)C(NCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ACP3 P15309 3/20 0.50
MDM2 Q00987 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CES2 O00748 1/20 0.47
LMNA P02545 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
GABRB1 P18505 2/20 0.45
GABRB2 P47870 2/20 0.45
TP53 P04637 1/20 0.44
OPRK1 P41145 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
SCHEMBL19248981 0.84 MEN1 (0.59) MEP1BKMT2AMEN1ACP3SMN1; SMN2
SCHEMBL27827175 0.84 MEN1 (0.59) MEP1BKMT2AMEN1ACP3SMN1; SMN2
SCHEMBL1696017 0.84 MEN1 (0.59) MEP1BKMT2AMEN1ACP3SMN1; SMN2
SCHEMBL6321040 0.83 HAT1 (0.54)
SCHEMBL6203337 0.81 TDP1 (0.50) MEP1BKMT2AMEN1MDM2TDP1
SCHEMBL5178563 0.81 MEN1 (0.56) MEP1BKMT2AMEN1ACP3SMN1; SMN2
SCHEMBL8187492 0.79 MEN1 (0.55) MEP1BKMT2AMEN1ACP3CES2
SCHEMBL6201593 0.79 ALDH1A1 (0.54) TDP1L3MBTL1CES2LMNACES1
SCHEMBL6202507 0.78 SMN1; SMN2 (0.48) TDP1L3MBTL1CES2LMNACES1
SCHEMBL8524972 0.78 LMNA (0.50) MEP1BKMT2AMEN1MDM2TDP1

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed