SCHEMBL7567140

SCHEMBL7567140

Nc1nc2c(ncn2CCC(=O)NCCOCCO)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.64
BLM P54132 2/20 0.64
HBB P68871 2/20 0.64
USP2 O75604 1/20 0.64
TSHR P16473 1/20 0.64
EDNRA P25101 1/20 0.64
HTR2A P28223 1/20 0.64
RECQL P46063 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TK1 P04183 1/20 0.59
HPRT1 P00492 9/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
NFKB1 P19838 1/20 0.51
VCP P55072 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7570078 0.91 TK1 (0.65) PNPBLMHBBUSP2TSHR
SCHEMBL7572289 0.87 TK1 (0.60) PNPBLMHBBUSP2TSHR
SCHEMBL7574815 0.86 BLM (0.57) PNPBLMHBBUSP2TSHR
SCHEMBL7575116 0.86 TK1 (0.59) PNPBLMHBBUSP2TSHR
SCHEMBL7400125 0.85 HPRT1 (0.50) PNPBLMHBBUSP2TSHR
SCHEMBL2346358 0.85 PNP (0.79) PNPBLMHBBUSP2TSHR
SCHEMBL7982329 0.84 TK1 (0.57) PNPBLMHBBUSP2TSHR
SCHEMBL7576803 0.84 TK1 (0.60) PNPTK1HPRT1
SCHEMBL7567095 0.83 TK1 (0.60) PNPBLMHBBUSP2TSHR
SCHEMBL7589923 0.80 TK1 (0.57) PNPBLMHBBUSP2TSHR

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
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed