SCHEMBL7239341

SCHEMBL7239341

COc1cc(C(=O)NN)cc(OCc2ccc(C(C)C)cc2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 2/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GCGR P47871 8/20 0.53
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
BRD4 O60885 1/20 0.48
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
TUBB4A P04350 1/20 0.47

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
SCHEMBL7235715 0.93 GCGR (0.60) ADCYAP1R1ALDH1A1MAPTKDM4EGCGR
SCHEMBL7230369 0.84 ALDH1A1 (0.54) ADCYAP1R1ALDH1A1MAPTKDM4EGCGR
SCHEMBL27517422 0.79 ACHE (0.50) ADCYAP1R1GCGRTUBB4ATUBBTUBA3C
SCHEMBL2451128 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EMAPK1HTTHDAC6
SCHEMBL7230025 0.79 GCGR (0.51) ADCYAP1R1ALDH1A1MAPTKDM4EGCGR
SCHEMBL7237622 0.77 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EHDAC6HDAC1
SCHEMBL17129585 0.77 MAPT (0.67) ALDH1A1MAPTKDM4EGCGRHDAC6
SCHEMBL3227053 0.75 KDM4E (0.62) ADCYAP1R1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL7239339 0.75 ADCYAP1R1 (0.57) ADCYAP1R1ALDH1A1MAPTGCGR
SCHEMBL7228854 0.73 GCGR (0.56) ALDH1A1MAPTKDM4EGCGRMAPK1

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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed