SCHEMBL13638958

SCHEMBL13638958

O=Cc1cc(C(=O)N2CCOCC2)ccc1N=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.53
PKM P14618 1/20 0.52
HPGD P15428 4/20 0.50
PHGDH O43175 1/20 0.49
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
DNMT1 P26358 1/20 0.46
PTPN7 P35236 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL13638858 0.84 KMT2A (0.52) ERN1HPGDKMT2APOLBALDH1A1
SCHEMBL17345591 0.78 HPGD (0.63) ERN1PKMHPGDPHGDHHSP90AA1
SCHEMBL1911937 0.77 KMT2A (0.64) PKMHPGDKMT2AGLAPOLB
SCHEMBL6223848 0.77 ERN1 (0.56) ERN1PKMHPGDPHGDHHSP90AA1
SCHEMBL20954371 0.75 ERN1 (0.50) ERN1PKMHPGDPHGDHHSP90AA1
SCHEMBL10720943 0.74 PHGDH (0.81) PKMHPGDPHGDHKMT2APOLB
SCHEMBL1662915 0.73 PHGDH (0.65) ERN1PKMHPGDPHGDHKMT2A
SCHEMBL31429067 0.73 ALDH1A1 (0.57) ERN1PKMHPGDPHGDHALDH1A1
SCHEMBL28114856 0.73 ALDH1A1 (0.57) ERN1PKMHPGDPHGDHALDH1A1
SCHEMBL17443637 0.73 HRH3 (0.56) ERN1PKMHPGDPHGDHALDH1A1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed