SCHEMBL2937504

SCHEMBL2937504

CC(Br)(Br)C(=O)c1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.58
DGAT1 O75907 2/20 0.53
GAA P10253 1/20 0.49
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
GRM4 Q14833 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.43
EGFR P00533 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL13028710 0.87 NAPRT (0.60) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL25327524 0.84 NAPRT (0.56) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL24198766 0.81 NAPRT (0.53) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL8848435 0.79 NAPRT (0.60) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL213163 0.76 NAPRT (0.67) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL29592337 0.76 NAPRT (0.67) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL7440808 0.76 NAPRT (0.72) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL29760376 0.76 NAPRT (0.72) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL17801 0.76 NAPRT (0.72) NAPRTDGAT1GAARAB9ASMN1; SMN2
SCHEMBL3531806 0.75 GAA (0.61) NAPRTGAARAB9ASMN1; SMN2ALDH1A1

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-2229057-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2010-09-22 EP disclosed
WO-2009090038-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-23 WO disclosed