SCHEMBL17425978

SCHEMBL17425978

Cc1ccccc1N1C(=O)c2cc3c(cc2C1=O)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 4/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45

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
SCHEMBL17430459 0.88 CDC25B (0.45) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL28460775 0.83 KMT2A (0.64) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL30758615 0.79 KMT2A (0.73) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL2550815 0.79 KMT2A (0.73) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL30777592 0.79 KMT2A (0.73) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL29379598 0.79 KMT2A (0.73) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL17946140 0.77 KMT2A (0.57) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL17432772 0.76 ESR1 (0.54) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL13084694 0.75 KMT2A (0.74) KMT2ACASP3CASP6SENP8SENP7
SCHEMBL17425969 0.75 TSHR (0.43) KMT2ACASP3CASP6SENP8SENP7

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-2965809-A1 OXYGEN ABSORBER COMPOSITION, AND MOLDED BODY AND PACKAGE EACH USING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2016-01-13 — — EP disclosed
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