SCHEMBL13470780

SCHEMBL13470780

Cc1cnc2sc(-c3ccccc3N)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYP1A2 P05177 1/20 0.40
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CCR1 P32246 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 1/20 0.36

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
SCHEMBL12342540 0.82 KDM4E (0.52) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL221374 0.79 MGAM (0.45) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL15426418 0.79 ALOX5AP (0.39) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL15426421 0.78 ALDH1A1 (0.42) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL983700 0.77 MAPT (0.61) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL15426414 0.77 LMNA (0.34) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL29657204 0.76 MAPT (0.69) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL2906176 0.76 MAPT (0.59) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL2485030 0.75 S1PR1 (0.45) SMN1; SMN2KDM4ENPC1MAPTALDH1A1
SCHEMBL12342541 0.74 S1PR1 (0.44) SMN1; SMN2KDM4ENPC1MAPTALDH1A1

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-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 — — EP disclosed
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