SCHEMBL11276816

SCHEMBL11276816

Nc1nc(N2CCN(C(=O)C=Cc3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
AR P10275 1/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GBA1 P04062 1/20 0.43
CFD P00746 1/20 0.43

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
SCHEMBL11276813 1.00 MEN1 (0.53) MEN1KMT2AARGAAL3MBTL1
SCHEMBL11287920 0.86 CFD (0.41) MEN1KMT2AARGAAL3MBTL1
SCHEMBL11277846 0.85 GPR183 (0.50) GAAMAPTRAB9ACFD
SCHEMBL11277852 0.85 GPR183 (0.50) GAAMAPTRAB9ACFD
SCHEMBL11288125 0.85 ALDH1A1 (0.57) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL11288129 0.85 ALDH1A1 (0.57) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL11287863 0.84 GAA (0.39) MEN1KMT2AARGAAL3MBTL1
SCHEMBL11282683 0.84 ALDH1A1 (0.61) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL11282687 0.84 ALDH1A1 (0.61) MEN1KMT2AGAAL3MBTL1POLB
SCHEMBL11282147 0.83 MAOB (0.58) MEN1KMT2APOLBRAB9A

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