SCHEMBL5335547

SCHEMBL5335547

COCOc1ccc(-c2nc3c(CN(Cc4ccccn4)Cc4ccccn4)cccc3o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CEPT1 Q9Y6K0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIN28A Q9H9Z2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
AOC3 Q16853 2/20 0.34
UTRN P46939 1/20 0.34

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
SCHEMBL5339562 0.83 SMN1; SMN2 (0.40) PTPN1PPARGPPARACEPT1ALDH1A1
SCHEMBL5332439 0.83 SYK (0.42) ALDH1A1CHRNA7MAPT
SCHEMBL5337672 0.81 PTPN1 (0.43) PTPN1CEPT1ALDH1A1CHRNB4CHRNA3
SCHEMBL5334323 0.79 SYK (0.45) ALDH1A1CHRNA7MAPTTDP1
SCHEMBL5339851 0.78 KDM4E (0.39) ALDH1A1CHRNA7MAPTSMN1; SMN2
SCHEMBL14436096 0.75 SYK (0.42) ALDH1A1CHRNA7MAPTTDP1
SCHEMBL16156465 0.75 KDM4E (0.43) ALDH1A1CHRNA7MAPTSMN1; SMN2F2RL3
SCHEMBL5332553 0.75 CEPT1 (0.51) PTPN1CEPT1ALDH1A1CHRNB4CHRNA3
SCHEMBL14436666 0.72 KDM4E (0.41) ALDH1A1CHRNA7MAPTSMN1; SMN2TDP1
SCHEMBL16156467 0.72 TOP2A (0.49) ALDH1A1MAPTSMN1; SMN2LIN28ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7105680-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2006-09-12 US disclosed