SCHEMBL7303178

SCHEMBL7303178

COC(=O)CCc1ccc(CCNC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 4/20 0.52
NAMPT P43490 2/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
ESRRG P62508 3/20 0.46
GAA P10253 1/20 0.46
ST14 Q9Y5Y6 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 3/20 0.45
ESRRB O95718 2/20 0.44
NPC1 O15118 2/20 0.44

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
Hydrochloric Acid SCHEMBL9275424 0.99 MAPT (0.51) MEN1KMT2AMAPTNAMPTCA1
SCHEMBL7301840 0.91 EPHX2 (0.48) MEN1KMT2AMAPTNAMPTGAA
Hydrochloric Acid SCHEMBL9273383 0.89 NR1H4 (0.47) MEN1KMT2AMAPTNAMPTGAA
SCHEMBL7303344 0.88 ST14 (0.59) MAPTCA1CA2CA9CA12
SCHEMBL7303034 0.86 NR1H4 (0.54) MEN1KMT2AMAPTNAMPTCA1
Hydrochloric Acid SCHEMBL9272571 0.86 ST14 (0.58) MAPTCA1CA2CA9CA12
SCHEMBL7299564 0.86 MAPT (0.57) MEN1KMT2AMAPTNAMPTRAB9A
Acetic Acid SCHEMBL9274585 0.84 MAPT (0.57) MEN1KMT2AMAPTNAMPTCA1
SCHEMBL11428355 0.81 KMT2A (0.47) MEN1KMT2AMAPTGAA
SCHEMBL7295673 0.79 MAPT (0.59) MEN1KMT2AMAPTNAMPTRAB9A

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
EP-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP claimed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US claimed