SCHEMBL6936403

SCHEMBL6936403

CCN(C(=O)CCN1CNc2c1nc[nH]c2=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.44
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 3/20 0.36
LTB4R2 Q9NPC1 2/20 0.34
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Acetic Acid SCHEMBL6932552 0.98 HPRT1 (0.43) HPRT1TNKSTNKS2LTB4R2LMNA
SCHEMBL930873 0.78 HPRT1 (0.47) HPRT1LMNAMEN1KMT2AALDH1A1
Water SCHEMBL6931313 0.77 HPRT1 (0.46) HPRT1LMNAMEN1KMT2AALDH1A1
SCHEMBL1866525 0.72 HPRT1 (0.58) HPRT1ALDH1A1
SCHEMBL8768185 0.69 HPRT1 (0.54) HPRT1KMT2AKDM4EALDH1A1TDP1
SCHEMBL7684221 0.69 HPRT1 (0.45) HPRT1KMT2AKDM4ESMN1; SMN2
SCHEMBL4240951 0.68 ALDH1A1 (0.49) LMNATP53MEN1KMT2AL3MBTL1
SCHEMBL4683525 0.65 LTB4R2 (0.46) LTB4R2TP53MEN1KMT2AALDH1A1
SCHEMBL1248604 0.63 HPRT1 (0.37) HPRT1LMNAMEN1KMT2AKDM4E
SCHEMBL931907 0.63 MAPT (0.43) HPRT1LMNATP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368350-A1 NOVEL CRYSTAL FORMS OF 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES Neotherapeutics, Inc. (US) 2003-12-10 EP disclosed
WO-2003011863-A1 NOVEL CRYSTAL FORMS OF 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2003-02-13 WO disclosed
US-6407237-B1 SALT FORMATION WITH POTASSIUM HYDROXIDE; PRECIPITATION INETHANOL; CRYSTALLIZATION NEOTHERAPEUTICS, INC. 2002-06-18 US disclosed