SCHEMBL18833249

SCHEMBL18833249

Oc1nc(-c2ccc(Br)s2)nc2c1CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SNCA P37840 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 4/20 0.33
HPGD P15428 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 3/20 0.33
NPC1 O15118 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX12 P18054 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33

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
Potassium Ion SCHEMBL17290171 0.85 HTT (0.46) HTTSNCAMAPTKMT2AHPGD
SCHEMBL17476937 0.84 ALDH1A1 (0.33) HTTKMT2AHPGDMEN1KDM4E
SCHEMBL16446549 0.82 PDE4B (0.36) HTTMAPTKMT2AHPGDLMNA
SCHEMBL17290142 0.79 ALDH1A1 (0.35) HTTMAPTKMT2AHPGDLMNA
SCHEMBL15921330 0.74 ACHE (0.40) MAPTKMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL15935755 0.71 PDE4B (0.44) HTTMAPTKMT2ASMN1; SMN2BCHE
SCHEMBL29400863 0.71 MAPT (0.50) HTTSNCAMAPTKMT2AHPGD
SCHEMBL4805235 0.70 LMNA (0.52) LMNAALDH1A1TP53L3MBTL1POLB
SCHEMBL4023006 0.69 ACHE (0.42) MAPTKMT2AHPGDSMN1; SMN2LMNA
SCHEMBL5734981 0.68 ALDH1A1 (0.42) HTTMAPTHPGDRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951173-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-05-17 EP disclosed