SCHEMBL7127481

SCHEMBL7127481

COc1ccccc1CC(=O)Nc1cccc2cc(C(=O)[AsH]c3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 5/20 0.45
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
GFER P55789 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
TRPM4 Q8TD43 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
SCHEMBL6834412 0.86 KDM4E (0.55) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL7128527 0.85 PARP14 (0.38) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6830741 0.77 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL6833726 0.76 PARP14 (0.45) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL6834299 0.76 MEN1 (0.56) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL6833087 0.75 MEN1 (0.44) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL6711390 0.74 TP53 (0.42) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL6834350 0.74 ALDH1A1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL6709308 0.73 TP53 (0.41) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL6834504 0.73 LMNA (0.47) KDM4EALDH1A1LMNASMN1; SMN2MEN1

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed