SCHEMBL4338338

SCHEMBL4338338

Cc1cc(C(=O)NN)c(C)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
KDM4E B2RXH2 1/20 1.00
RAB9A P51151 5/20 0.64
HPGD P15428 2/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 4/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALPL P05186 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
APOBEC3A P31941 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51

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
SCHEMBL23461844 0.82 MAPT (0.70) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL14880163 0.82 MAPT (0.69) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL9906903 0.82 MAPT (0.69) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL13753341 0.81 RAB9A (0.70) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL8340106 0.80 RAB9A (0.73) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL6361574 0.78 RAB9A (0.66) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL13753400 0.77 MAPT (0.62) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL5799680 0.77 MAPT (0.62) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL388833 0.77 MAPT (0.62) MAPTKDM4ERAB9AHPGDALDH1A1
SCHEMBL9375468 0.76 MAPT (0.61) MAPTKDM4ERAB9AHPGDALDH1A1

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-2009094205-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2009-07-30 WO disclosed