SCHEMBL28103648

SCHEMBL28103648

CN1C=CN(c2ccc(N)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
ALDH1A1 P00352 5/20 0.44
GFER P55789 4/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
ADRA2C P18825 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
MEN1 O00255 3/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL27196390 0.81 MAPT (0.42) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL27885708 0.79 GSK3A (0.34) ALDH1A1NPC1POLBRAB9ANPSR1
SCHEMBL28047941 0.79 LMNA (0.35) MAPTALDH1A1GFERKDM4EKMT2A
SCHEMBL28047904 0.79 HTR3E (0.35) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL27853541 0.79 MAPT (0.36) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL27885693 0.79 HRH3 (0.37)
SCHEMBL666883 0.78 MAPT (0.37) MAPTKMT2AMEN1NPC1POLB
Hydrochloric Acid SCHEMBL384463 0.77 MAPT (0.36) MAPTKMT2AMEN1NPC1POLB
SCHEMBL15993007 0.76 POLB (0.43) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL23884741 0.75 ALDH1A1 (0.49) ALDH1A1KDM4ENPSR1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980381-A Substituted uracils and use thereof 拜耳医药股份有限公司 2016-09-28 CN disclosed