SCHEMBL27367053

SCHEMBL27367053

NCc1ccc(OC(=O)CCC(=O)Oc2ccc(CN)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ST14 Q9Y5Y6 1/20 0.47
TPSAB1 Q15661 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ABAT P80404 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL27367054 0.93 KMT2A (0.52) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27770061 0.92 KMT2A (0.53) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL17449174 0.91 KMT2A (0.55) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27491822 0.89 BCL9 (0.57) KMT2AALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL4433825 0.87 BCL9 (0.55) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL28294798 0.86 KMT2A (0.47) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27491824 0.86 KMT2A (0.49) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27491122 0.86 KMT2A (0.47) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27324289 0.84 KMT2A (0.59) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL27587804 0.84 F2 (0.46) KMT2AALDH1A1LMNAMAPTHTT

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-1066766-C Diketopyrrolopyrrole pigment with high chroma CIBA SC HOLDING AG (CH) 2001-06-06 CN disclosed
CN-1113251-A Diketopyrrolopyrrole pigment with high chroma CIBA GEIGY AG (CH) 1995-12-13 CN disclosed