SCHEMBL5812797

SCHEMBL5812797

CC(=NNC(=O)c1cc(C)nc2ccc(Br)cc12)c1ccc(O)c(O)c1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
OPRK1 P41145 1/20 0.45
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL5812773 1.00 GAA (0.57) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5813192 0.88 GAA (0.50) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5813205 0.88 GAA (0.50) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5813681 0.86 GAA (0.58) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5813671 0.86 GAA (0.58) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5809423 0.86 L3MBTL1 (0.65) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5809437 0.86 L3MBTL1 (0.65) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5814909 0.78 KDM4E (0.55) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5812782 0.78 KDM4E (0.55) GAAALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5809168 0.74 KMT2A (0.60) GAAALDH1A1KDM4EL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 WO claimed
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 WO disclosed