SCHEMBL5339562

SCHEMBL5339562

Oc1ccc(-c2nc3c(CN(Cc4ccccn4)Cc4ccccn4)cccc3o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 4/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CEPT1 Q9Y6K0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
APP P05067 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 3/20 0.34
PTPN1 P18031 2/20 0.34
RAB9A P51151 2/20 0.34
HSPD1 P10809 1/20 0.34
PTPN5 P54829 1/20 0.34
HSPE1 P61604 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL5335547 0.83 PTPN1 (0.41) SMN1; SMN2MAPTLIN28ATDP1CEPT1
SCHEMBL16156467 0.81 TOP2A (0.49) SMN1; SMN2MAPTLIN28ATDP1ESR1
SCHEMBL5339851 0.77 KDM4E (0.39) SMN1; SMN2MAPTALDH1A1KDM4ETP53
SCHEMBL16156470 0.76 NPC1 (0.47) SMN1; SMN2MAPTTDP1ESR1ESR2
SCHEMBL15615130 0.74 TOP2A (0.38) SMN1; SMN2MAPTTDP1ESR1ESR2
SCHEMBL16156465 0.74 KDM4E (0.43) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL5334323 0.74 SYK (0.45) MAPTTDP1ALDH1A1KDM4E
SCHEMBL14369562 0.72 MAPT (0.59) SMN1; SMN2MAPTLIN28ATDP1APP
SCHEMBL5332439 0.71 SYK (0.42) MAPTALDH1A1KDM4E
SCHEMBL16156471 0.70 HSD17B10 (0.45) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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