SCHEMBL8039876

SCHEMBL8039876

C=C(C)NCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.50
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL1027588 0.81 HTT (0.66) HTTRAB9AGAAMAPTMAPK1
SCHEMBL23714535 0.79 HTT (0.54) HTTRAB9AGAAMAPTMAPK1
SCHEMBL48578 0.79 HTT (0.64) HTTRAB9AGAAMAPTMAPK1
SCHEMBL17178075 0.79 CA9 (0.54) HTTRAB9AGAAMAPTMAPK1
SCHEMBL19319057 0.79 RAB9A (0.54) HTTRAB9AGAAMAPTMAPK1
SCHEMBL8299549 0.78 ALOX12 (0.56) GAAMAPTLMNAALDH1A1CA9
SCHEMBL13558235 0.77 ALDH1A1 (0.64) HTTGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL24568371 0.77 NAMPT (0.52) HTTRAB9AMAPTMAPK1LMNA
SCHEMBL20924880 0.77 POLB (0.46) RAB9AGAAMAPTMAPK1LMNA
SCHEMBL13369666 0.77 SMN1; SMN2 (0.53) RAB9AGAAMAPTMAPK1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed