SCHEMBL5340563

SCHEMBL5340563

COc1ccc(OC)c(-c2nc3c(C)cccc3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
AGPAT2 O15120 1/20 0.47
S1PR4 O95977 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43

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 0.88 AGPAT2 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5340379 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19663011 0.79 NPC1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5337103 0.78 AGPAT2 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5334323 0.73 SYK (0.45) KDM4EALDH1A1MAPTRECQL
SCHEMBL5340643 0.73 F2RL3 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL31154071 0.73 NPC1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2964184 0.73 KDM4E (0.52) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2954863 0.73 TOP2A (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2401083 0.72 NPC1 (0.54) KDM4EALDH1A1TSHRMAPTMGAM

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