SCHEMBL9409188

SCHEMBL9409188

CCc1ccc(Nc2cc(C(N)=O)c(C(=O)OC)cc2Nc2ccc(CC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.51
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.41
IKBKB O14920 1/20 0.41
NPC1 O15118 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAP2K2 P36507 1/20 0.39

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
SCHEMBL9409044 0.93 MAPT (0.56) SIRT2MAPTSMN1; SMN2LMNAHTT
SCHEMBL9409094 0.85 SIRT2 (0.54) SIRT2MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9409026 0.85 SIRT2 (0.55) SIRT2MAPTSMN1; SMN2LMNAHTT
SCHEMBL9409104 0.84 SIRT2 (0.52) SIRT2MAPTSMN1; SMN2LMNAHTT
SCHEMBL9409132 0.84 AKR1C3 (0.55) SIRT2MAPTLMNAKMT2AMEN1
SCHEMBL9409039 0.84 SIRT2 (0.56) SIRT2MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9409202 0.84 MAPT (0.64) SIRT2MAPTALOX15ALDH1A1GAA
SCHEMBL9409210 0.83 SIRT2 (0.58) SIRT2MAPTSMN1; SMN2ALOX15KDM4E
SCHEMBL9409084 0.82 SIRT2 (0.73) SIRT2MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9409105 0.81 SIRT2 (0.49) SIRT2MAPTKMT2AMEN1ALOX15

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