SCHEMBL805287

SCHEMBL805287

COC(=O)C(=O)NCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 4/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 6/20 0.53
GAA P10253 2/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL360571 0.85 ALDH1A1 (0.61) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL29783179 0.85 RAB9A (0.73) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL19500124 0.83 RAB9A (0.55) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL30589824 0.81 ALDH1A1 (0.59) L3MBTL1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL10163741 0.81 HTT (0.70) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL12484350 0.81 POLB (0.56) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL10143918 0.81 ALDH1A1 (0.67) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL361384 0.79 SMN1; SMN2 (0.63) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL19500249 0.79 RAB9A (0.57) RAB9AHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL3842161 0.79 HTT (0.61) RAB9AHTTL3MBTL1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272893-B1 Polymeric dispersants and non-aqueous dispersions AGFA GRAPHICS NV (BE) 2014-11-05 EP disclosed
US-8809419-B2 Polymeric dispersants and non-aqueous dispersions AGFA GRAPHICS NV (BE) 2014-08-19 US disclosed
US-20120071593-A1 POLYMERIC DISPERSANTS AND NON-AQUEOUS DISPERSIONS AGFA GRAPHICS NV (BE) 2012-03-22 US disclosed