SCHEMBL17826523

SCHEMBL17826523

N#CCNc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(N)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.55
BCHE P06276 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
Avanbulin SCHEMBL29374555 0.91 KDM4E (0.56) ALDH1A1KDM4EHSD17B10BCHESMN1; SMN2
Avanbulin SCHEMBL1160317 0.91 KDM4E (0.56) ALDH1A1KDM4EHSD17B10BCHESMN1; SMN2
Avanbulin SCHEMBL9099635 0.90 KDM4E (0.55) ALDH1A1KDM4EHSD17B10BCHESMN1; SMN2
SCHEMBL23118938 0.87 KDM4E (0.53) ALDH1A1KDM4EHSD17B10BCHESMN1; SMN2
SCHEMBL11891125 0.87 KDM4E (0.55) KDM4EBCHESMN1; SMN2TP53MAPT
SCHEMBL18714136 0.86 KDM4E (0.52) ALDH1A1KDM4EHSD17B10BCHESMN1; SMN2
SCHEMBL2584579 0.85 KDM4E (0.58) ALDH1A1KDM4EBCHESMN1; SMN2TP53
SCHEMBL18791198 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10BCHESMN1; SMN2
SCHEMBL11890502 0.84 KDM4E (0.73) KDM4EBCHESMN1; SMN2TP53MAPT
SCHEMBL11301075 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10BCHESMN1; SMN2

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
US-9366682-B2 Use of stathmin as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2016-06-14 US disclosed
US-9366682-B2 Use of stathmin as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2016-06-14 US disclosed