SCHEMBL9253103

SCHEMBL9253103

COC(=O)c1ccc(-c2cn(C)c(-c3ccc(CCC(=O)OCCc4ccccc4)cc3)n2)c(C(=N)N)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
APP P05067 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
NAMPT P43490 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
MAPT P10636 1/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL9257107 0.90 F2 (0.37) HPGDGAAALDH1A1F2F10
SCHEMBL9255731 0.85 ALDH1A1 (0.38) HPGDKDM4EMEN1GAAKMT2A
SCHEMBL9247338 0.85 MAPT (0.38) HPGDKDM4ETDP1ALDH1A1MAPT
SCHEMBL9288922 0.84 TDP1 (0.43) ALOX5APPKDM4EMEN1KMT2A
SCHEMBL9255106 0.84 ALDH1A1 (0.36) HPGDKDM4EMEN1GAAKMT2A
SCHEMBL9254257 0.83 HDAC1 (0.33) HPGDKDM4EGAAALDH1A1F2
SCHEMBL9256887 0.81 ALDH1A1 (0.37) HPGDKDM4ETDP1ALDH1A1NAMPT
SCHEMBL9253096 0.80 TDP1 (0.40) ALOX5APPHPGDKDM4EMEN1
SCHEMBL9256586 0.77 HDAC1 (0.35) HPGD
SCHEMBL9257668 0.76 KDM4E (0.36) HPGDKDM4EMEN1KMT2AALDH1A1

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed