SCHEMBL9409083

SCHEMBL9409083

COC(=O)c1ccccc1Nc1cc(C(N)=O)c(C(N)=O)cc1Nc1ccccc1C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ALOX15 P16050 1/20 0.61
SIRT2 Q8IXJ6 4/20 0.60
KDM4E B2RXH2 4/20 0.57
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
CFTR P13569 1/20 0.50
PTGS2 P35354 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 3/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 3/20 0.48
MAPK1 P28482 1/20 0.48
SIRT1 Q96EB6 1/20 0.47
NPC1 O15118 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
SCHEMBL9409100 0.98 MAPT (0.59) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL9409047 0.91 MAPT (0.55) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL9409164 0.89 CDC25B (0.57) MAPTALOX15SIRT2KDM4EKMT2A
SCHEMBL9409337 0.86 CSF1R (0.49) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL9409108 0.86 TSHR (0.51) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL19065779 0.86 MAPT (0.79) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL9409146 0.85 JAK2 (0.54) MAPTSIRT2KDM4EKMT2AHSD17B10
SCHEMBL9409163 0.85 MAPT (0.50) MAPTALOX15SIRT2KDM4EPOLB
SCHEMBL9409092 0.85 CDC25B (0.63) MAPTKDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL9409103 0.84 ALDH1A1 (0.50) MAPTALOX15SIRT2KDM4EPOLB

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
EP-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed