SCHEMBL11060481

SCHEMBL11060481

O=C(CCl)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.53
STAT3 P40763 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
HTT P42858 5/20 0.51
MITF O75030 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PYGL P06737 2/20 0.51
KDM4C Q9H3R0 1/20 0.50
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NOD2 Q9HC29 1/20 0.49
BCL2L1 Q07817 1/20 0.48

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
SCHEMBL30516127 0.87 KDM4C (0.66) KMT2APKMALDH1A1KDM4EMEN1
SCHEMBL29045182 0.87 KDM4C (0.66) KMT2APKMALDH1A1KDM4EMEN1
SCHEMBL13593266 0.86 KMT2A (0.61) KMT2APKMALDH1A1KDM4EMEN1
SCHEMBL31042937 0.85 POLB (0.53) KMT2APKMALDH1A1KDM4EHTT
SCHEMBL16221621 0.85 KMT2A (0.59) KMT2APKMALDH1A1KDM4EMEN1
SCHEMBL26799 0.83 KMT2A (0.58) KMT2APKMALDH1A1KDM4EMEN1
SCHEMBL14392276 0.83 KMT2A (0.58) KMT2APKMALDH1A1KDM4EMEN1
SCHEMBL14706934 0.82 ERCC1 (0.58) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL7529550 0.82 KMT2A (0.56) KMT2APKMALDH1A1KDM4EMEN1
SCHEMBL2128835 0.81 ALDH1A1 (0.68) KMT2APKMALDH1A1KDM4EMEN1

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-4455147-A COLORING TEXTILES, ANIONIC AND CATIONIC SURFACTANTS I.W.S. NOMINEE COMPANY, LIMITED (GB) 1984-06-19 US disclosed