SCHEMBL7438256

SCHEMBL7438256

CCc1cc(O)n2ncc([N+](=O)[O-])c2n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
PGK1 P00558 1/20 0.33
GALR2 O43603 1/20 0.33
LMNA P02545 1/20 0.33
GPR35 Q9HC97 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ERN1 O75460 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL7447843 0.83 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1SMN1; SMN2GAA
SCHEMBL7446616 0.79 CDK2 (0.40) ALDH1A1
SCHEMBL7438974 0.72 CHEK1 (0.33)
SCHEMBL7442157 0.70 KDM4E (0.54) ALDH1A1POLBSMN1; SMN2GAAMEN1
SCHEMBL31624118 0.69 MAPT (0.53) ALDH1A1L3MBTL1SMN1; SMN2GAALMNA
SCHEMBL7792399 0.69 POLB (0.57) ALDH1A1POLBL3MBTL1SMN1; SMN2GAA
SCHEMBL7474235 0.69 L3MBTL1 (0.50) ALDH1A1POLBL3MBTL1SMN1; SMN2GAA
SCHEMBL11603518 0.69 KDM4E (0.54) ALDH1A1POLBL3MBTL1SMN1; SMN2MEN1
SCHEMBL31624143 0.68 RAB9A (0.55) ALDH1A1POLBL3MBTL1SMN1; SMN2GAA
SCHEMBL6855708 0.67 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed