SCHEMBL11288129

SCHEMBL11288129

Nc1nc(N2CCN(C(=O)C=Cc3ccccc3[N+](=O)[O-])CC2)nc2c1CCCC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
LMNA P02545 7/20 0.55
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 7/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL11288125 1.00 ALDH1A1 (0.57) ALDH1A1LMNAKMT2APOLBL3MBTL1
SCHEMBL11276813 0.85 MEN1 (0.53) KMT2APOLBL3MBTL1MEN1MAPT
SCHEMBL11276816 0.85 MEN1 (0.53) KMT2APOLBL3MBTL1MEN1MAPT
SCHEMBL11282683 0.77 ALDH1A1 (0.61) ALDH1A1LMNAKMT2APOLBL3MBTL1
SCHEMBL11282687 0.77 ALDH1A1 (0.61) ALDH1A1LMNAKMT2APOLBL3MBTL1
SCHEMBL11287920 0.76 CFD (0.41) KMT2AL3MBTL1MEN1MAPT
SCHEMBL11277846 0.75 GPR183 (0.50) MAPT
SCHEMBL11277852 0.75 GPR183 (0.50) MAPT
SCHEMBL11282141 0.74 MAOB (0.58) ALDH1A1LMNAKMT2APOLBMAPK1
SCHEMBL11282147 0.74 MAOB (0.58) ALDH1A1LMNAKMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed