SCHEMBL13757997

SCHEMBL13757997

CCN1C(=C(C(=O)c2ccc(N=O)cc2)C(=O)c2ccc(N=O)cc2)Sc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPT P10636 6/20 0.45
▸ HTT P42858 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MEN1 O00255 9/20 0.43
▸ KMT2A Q03164 9/20 0.43
▸ USP2 O75604 3/20 0.43
▸ CRHBP P24387 2/20 0.43
▸ CRHR2 Q13324 2/20 0.43
▸ IDE P14735 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CASP1 P29466 1/20 0.40

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
SCHEMBL13750359 0.87 MAPT (0.51) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL13750352 0.86 BCHE (0.52) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL13750362 0.85 ALDH1A1 (0.47) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL13750438 0.82 BCHE (0.55) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL10475163 0.81 HDAC6 (0.45) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL13750343 0.81 BCHE (0.55) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL13825587 0.75 MAPT (0.51) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL9531247 0.75 MAPT (0.39) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL13750429 0.75 LMNA (0.45) ALDH1A1MAPTHTTHPGDMEN1
SCHEMBL13750447 0.74 MAPT (0.47) ALDH1A1MAPTHTTHPGDMEN1

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
US-7569688-B2 Propane-1, 3-dione derivative ASTELLAS PHARMA INC. (JP) 2009-08-04 — — US disclosed
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