SCHEMBL5862092

SCHEMBL5862092

CN(C(=O)Cc1ccccc1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
POLQ O75417 1/20 0.54
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.50
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL15551126 0.81 POLQ (0.51) MEN1KMT2APOLQPOLBTSHR
SCHEMBL5143941 0.81 POLQ (0.51) MEN1KMT2APOLQPOLBTSHR
SCHEMBL16353933 0.81 POLQ (0.48) MEN1KMT2APOLQPOLBTSHR
SCHEMBL7715832 0.80 POLQ (0.50) MEN1KMT2APOLQPOLBTSHR
SCHEMBL18766032 0.80 POLQ (0.50) MEN1KMT2APOLQPOLBTSHR
SCHEMBL14350966 0.80 POLQ (0.50) MEN1KMT2APOLQPOLBTSHR
SCHEMBL243741 0.79 POLB (0.51) MEN1KMT2APOLQPOLBTSHR
SCHEMBL19098715 0.79 GBA1 (0.45) MEN1KMT2ACHRM2ALDH1A1SMN1; SMN2
SCHEMBL5079200 0.79 POLQ (0.47) MEN1KMT2APOLQPOLBTSHR
SCHEMBL8278748 0.79 POLQ (0.49) MEN1KMT2APOLQPOLBTSHR

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-7060752-B2 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY (US) 2006-06-13 US disclosed
US-20040087726-A1 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY 2004-05-06 US disclosed