SCHEMBL5337103

SCHEMBL5337103

COCOc1cc(OC)c(OC)cc1-c1nc2c(C)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.44
F2RL3 Q96RI0 8/20 0.43
CEPT1 Q9Y6K0 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RY6 Q15077 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5335110 0.86 AGPAT2 (0.43) AGPAT2F2RL3CEPT1MEN1KMT2A
SCHEMBL5341017 0.85 F2RL3 (0.39) AGPAT2F2RL3PSEN1PSEN2APH1B
SCHEMBL14436018 0.80 F2RL3 (0.43) AGPAT2F2RL3CEPT1MEN1KMT2A
SCHEMBL5340563 0.78 KDM4E (0.48) AGPAT2F2RL3PSEN1PSEN2APH1B
SCHEMBL5339446 0.77 L3MBTL1 (0.49) F2RL3MEN1KMT2AKDM4EALDH1A1
SCHEMBL5332553 0.75 CEPT1 (0.51) AGPAT2F2RL3CEPT1MEN1KMT2A
SCHEMBL6099363 0.72 KDM4E (0.34) F2RL3MEN1KMT2AKDM4EALDH1A1
SCHEMBL5340643 0.72 F2RL3 (0.38) F2RL3MEN1KMT2AKDM4EALDH1A1
SCHEMBL15522258 0.70 AGPAT2 (0.39) AGPAT2F2RL3CEPT1TP53SMN1; SMN2
SCHEMBL31154071 0.69 NPC1 (0.50) AGPAT2F2RL3CEPT1MEN1KMT2A

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 4 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-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