SCHEMBL28686017

SCHEMBL28686017

Cc1cc(Oc2ccnc(N)c2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 6/20 0.39
PRMT1 Q99873 1/20 0.38
KDR P35968 5/20 0.38
PDGFRA P16234 1/20 0.38
MAPT P10636 3/20 0.38
FLT1 P17948 1/20 0.38
BRAF P15056 1/20 0.36
RAF1 P04049 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CISD2 Q8N5K1 1/20 0.35
FGFR2 P21802 1/20 0.35

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
SCHEMBL29837315 0.90 KDR (0.45) KDRPDGFRAFLT1BRAFFGFR2
SCHEMBL28686012 0.90 KDR (0.40) ALDH1A1LMNAPRMT1KDRPDGFRA
SCHEMBL2973081 0.90 KDR (0.45) KDRPDGFRAFLT1BRAFFGFR2
SCHEMBL28933364 0.90 GAA (0.44) ALDH1A1PRMT1KDRPDGFRAMAPT
SCHEMBL29396856 0.88 BRAF (0.41) ALDH1A1PRMT1KDRFLT1BRAF
SCHEMBL28697205 0.88 BRAF (0.40) ALDH1A1LMNAPRMT1KDRMAPT
SCHEMBL9909777 0.88 BRAF (0.41) ALDH1A1PRMT1KDRFLT1BRAF
SCHEMBL28698586 0.88 PRMT1 (0.37) ALDH1A1LMNAPRMT1KDRPDGFRA
SCHEMBL29662384 0.88 KDR (0.43) PRMT1KDRPDGFRAMAPTFLT1
SCHEMBL28706536 0.88 KDR (0.43) PRMT1KDRPDGFRAMAPTFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed