SCHEMBL8894528

SCHEMBL8894528

COc1ccccc1C1(O)C(O)CC(c2ccccc2)(c2ccccc2)C2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TACR1 P25103 1/20 0.43
RECQL P46063 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALOX15 P16050 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL8894771 0.88 FNTA (0.46) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL8895417 0.87 FNTA (0.46) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL8894055 0.85 TACR1 (0.46) ALDH1A1KMT2AMEN1FNTAFNTB
SCHEMBL9142783 0.84 FNTA (0.60) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL8783447 0.82 FNTA (0.53) MAPTKMT2AMEN1FNTAFNTB
SCHEMBL8788673 0.81 FNTA (0.52) ALDH1A1MAPTKMT2AMEN1FNTA
SCHEMBL9139914 0.81 FNTA (0.52) ALDH1A1MAPTKMT2AMEN1FNTA
SCHEMBL8894203 0.80 TACR1 (0.51) MAPTKMT2AMEN1FNTAFNTB
SCHEMBL8894524 0.80 TACR1 (0.51) MAPTKMT2AMEN1FNTAFNTB
SCHEMBL8895688 0.80 FNTA (0.51) MAPTKMT2AMEN1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631279-A ANTAGONISTS OF NEUROKININ A RHONE-POULENC RORER, S.A. (FR) 1997-05-20 US disclosed