SCHEMBL895690

SCHEMBL895690

N=C(N)Nc1cccc(C(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
PARP1 P09874 16/20 0.59
PARP10 Q53GL7 12/20 0.59
PARP15 Q460N3 7/20 0.59
PARP14 Q460N5 4/20 0.59
ALDH1A1 P00352 1/20 0.49

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
Hydrochloric Acid SCHEMBL2546537 0.98 MEN1 (0.61) MEN1KMT2APARP1PARP10PARP15
SCHEMBL9303029 0.88 PARP1 (0.52) MEN1KMT2APARP1PARP10PARP15
SCHEMBL6930688 0.87 KMT2A (0.62) MEN1KMT2AALDH1A1
SCHEMBL1185244 0.87 KMT2A (0.58) MEN1KMT2APARP1PARP10PARP15
Hydrochloric Acid SCHEMBL29568124 0.86 KMT2A (0.57) MEN1KMT2APARP1PARP10PARP15
Hydrochloric Acid SCHEMBL3839558 0.86 KMT2A (0.57) MEN1KMT2APARP1PARP10PARP15
SCHEMBL7875123 0.86 PARP1 (0.60) MEN1KMT2APARP1PARP10PARP15
SCHEMBL2850002 0.85 MEN1 (0.67) MEN1KMT2APARP1PARP10PARP15
SCHEMBL9303737 0.85 HPSE (0.50) MEN1KMT2APARP1PARP10PARP15
SCHEMBL5354517 0.84 L3MBTL1 (0.60) MEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440034-A1 HIGH OIL CONTENT PLANTS Bayer BioScience N.V. (BE) 2012-04-18 EP disclosed
US-20120084883-A1 High Oil Content Plants BAYER CROPSCIENCE N.V. (BE) 2012-04-05 US disclosed
WO-2010142424-A1 HIGH OIL CONTENT PLANTS BAYER BIOSCIENCE N.V. (BE) 2010-12-16 WO disclosed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
US-5719151-A PHTHALAZINEDIONE COMPOUND; POLYMERASE INHIBITOR SHALL SYDNEY (GB) 1998-02-17 US disclosed