SCHEMBL5042149

SCHEMBL5042149

CO[C@H](C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
TPSAB1 Q15661 2/20 0.57
LMNA P02545 1/20 0.56
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
F2 P00734 11/20 0.53
ST14 Q9Y5Y6 1/20 0.53
MASP2 O00187 2/20 0.53
F10 P00742 5/20 0.52
PRSS1 P07477 4/20 0.52
F7 P08709 2/20 0.50
F9 P00740 1/20 0.49
PLAU P00749 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL5042422 0.99 PKM (0.69) PKMTPSAB1LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5042030 0.99 PKM (0.69) PKMTPSAB1LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6469315 0.99 PKM (0.69) PKMTPSAB1LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5041923 0.92 PKM (0.60) PKMTPSAB1LMNAF2ST14
Hydrochloric Acid SCHEMBL5041927 0.92 PKM (0.60) PKMTPSAB1LMNAF2ST14
Hydrochloric Acid SCHEMBL5040864 0.90 PKM (0.58) PKMTPSAB1LMNAKMT2AF2
Hydrochloric Acid SCHEMBL5040861 0.90 PKM (0.58) PKMTPSAB1LMNAKMT2AF2
Hydrochloric Acid SCHEMBL5041631 0.87 MRGPRX1 (0.57) PKMF2F10PRSS1F7
Hydrochloric Acid SCHEMBL5041621 0.87 MRGPRX1 (0.57) PKMF2F10PRSS1F7
Hydrochloric Acid SCHEMBL5042603 0.87 PKM (0.55) PKMTPSAB1F2ST14MASP2

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed