SCHEMBL5332439

SCHEMBL5332439

COCOc1ccc(OC)cc1-c1nc2c(CN(Cc3ccccn3)Cc3ccccn3)cccc2o1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.42
CHRNA7 P36544 3/20 0.38
SGMS2 Q8NHU3 1/20 0.37
ABCB1 P08183 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 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
SCHEMBL5334323 0.93 SYK (0.45) SYKCHRNA7ABCB1HTR1ADRD2
SCHEMBL14436096 0.92 SYK (0.42) SYKCHRNA7SGMS2ABCB1HTR1A
SCHEMBL5339851 0.86 KDM4E (0.39) SYKCHRNA7KDM4EALDH1A1MAPT
SCHEMBL5334048 0.86 KDM4E (0.45) SYKSGMS2KDM4EALDH1A1MAPT
SCHEMBL5335547 0.83 PTPN1 (0.41) CHRNA7ALDH1A1MAPT
SCHEMBL5340643 0.83 F2RL3 (0.38) SYKSGMS2KDM4EALDH1A1MAPT
SCHEMBL16156465 0.82 KDM4E (0.43) CHRNA7SGMS2KDM4EALDH1A1MAPT
SCHEMBL16156471 0.78 HSD17B10 (0.45) SYKCHRNA7SGMS2KDM4EALDH1A1
SCHEMBL5335110 0.78 AGPAT2 (0.43) KDM4EALDH1A1MAPT
SCHEMBL14436666 0.75 KDM4E (0.41) SYKCHRNA7KDM4EALDH1A1MAPT

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