SCHEMBL14612968

SCHEMBL14612968

CN(C)c1ccc(N=C2C=CC(=N)C=C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
TSHR P16473 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPK1 P28482 4/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 1/20 0.45
PABPC1 P11940 1/20 0.44
MPI P34949 1/20 0.42
TDP1 Q9NUW8 4/20 0.42
ALOX15 P16050 3/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NOS1 P29475 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL13683248 0.83 TXNRD1 (0.33)
SCHEMBL12267743 0.81 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL126305 0.81 PABPC1 (0.60) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL3397554 0.78 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL14582121 0.78 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL13328441 0.78 CCNB2 (0.54) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL13683016 0.78 MEN1 (0.32) MEN1KMT2AHTTBLM
SCHEMBL12761442 0.78 MAPT (0.38) ALDH1A1MAPK1MPITDP1MAPT
SCHEMBL21218536 0.74 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10MAPK1TP53
SCHEMBL11690642 0.73 PABPC1 (0.51) ALDH1A1TSHRHSD17B10MAPK1TP53

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
US-20070042295-A1 Optical data carrier comprising a polymeric network in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2007-02-22 US disclosed