SCHEMBL5814909

SCHEMBL5814909

Cc1cc(C(=O)N/N=C/Cc2ccc(O)c(O)c2O)c2cc(Br)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
GAA P10253 4/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 8/20 0.47
MAPT P10636 8/20 0.47
HTT P42858 7/20 0.47
MEN1 O00255 6/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.43
PIK3CG P48736 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
GPR174 Q9BXC1 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5812782 1.00 KDM4E (0.55) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5813210 0.89 ATM (0.49) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5813195 0.89 ATM (0.49) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5813675 0.87 KDM4E (0.56) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5809443 0.87 MAPT (0.55) KDM4EALDH1A1KMT2AMAPTHTT
SCHEMBL5809429 0.87 MAPT (0.55) KDM4EALDH1A1KMT2AMAPTHTT
SCHEMBL5812797 0.78 GAA (0.57) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5812773 0.78 GAA (0.57) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5809172 0.77 KMT2A (0.60) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL5809168 0.77 KMT2A (0.60) KDM4EGAAALDH1A1KMT2AMAPT

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