SCHEMBL3071563

SCHEMBL3071563

Nc1cc(O)c2nc[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.46
PRKCI P41743 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAD52 P43351 1/20 0.44
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
PRNP P04156 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL28370589 0.80 PNP (0.46) PNPPRKCIMAPTKDM4ERAD52
SCHEMBL28175860 0.79 LMNA (0.46) PNPMAPTKDM4ELMNAALDH1A1
SCHEMBL28871076 0.79 PNP (0.48) PNPPRKCIMAPTKDM4ERAD52
SCHEMBL7035002 0.76 PNP (0.46) PNPPRKCIMAPTKDM4ERAD52
SCHEMBL7032604 0.76 MAPT (0.49) PNPPRKCIMAPTKDM4ERAD52
SCHEMBL25413144 0.76 LMNA (0.40) PNPMAPTLMNAALDH1A1MEN1
SCHEMBL7028881 0.76 PNP (0.46) PNPPRKCIMAPTKDM4ERAD52
SCHEMBL4157390 0.76 PARP1 (0.41) PNPMAPTLMNAALDH1A1MEN1
SCHEMBL7090535 0.76 PNP (0.46) PNPPRKCIMAPTKDM4ERAD52
SCHEMBL2915004 0.76 PNP (0.42) PNPPRKCIMAPTKDM4ERAD52

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
CN-103992310-B One group replaces benzo heterocyclic amine derivant and preparation method thereof and the related application as IMPDH inhibitor 中国医学科学院医药生物技术研究所 2016-07-06 CN disclosed
US-7790025-B2 External gradient chromatofocusing CRYOBIOPHYSICA, INC. (US) 2010-09-07 US disclosed
US-20070144973-A1 External gradient chromatofocusing CRYOBIOPHYSICA, INC. (US) 2007-06-28 US disclosed
EP-1628729-A2 EXTERNAL GRADIENT CHROMATOFOCUSING Cryobiophysica, Inc. (US) 2006-03-01 EP disclosed
WO-2004103519-A2 EXTERNAL GRADIENT CHROMATOFOCUSING CRYOBIOPHYSICA, INC. (US) 2004-12-02 WO disclosed
US-20030226769-A1 Kit for assaying saccharified protein SODE KOJI (JP) 2003-12-11 US disclosed