SCHEMBL6544654

SCHEMBL6544654

CON=C(C(C)=NN)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.42
PTBP1 P26599 1/20 0.42
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
METTL3 Q86U44 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
RAB9A P51151 5/20 0.35
SLC6A4 P31645 1/20 0.35
NPC1 O15118 4/20 0.34
PKM P14618 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA4 P22748 1/20 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
SCHEMBL7859294 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPTBP1TRPA1CYP1A2
SCHEMBL8499333 0.84 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPTBP1TRPA1CYP1A2
SCHEMBL7205062 0.83 LMNA (0.40) SMN1; SMN2LMNACYP1A2F2PRSS1
SCHEMBL7205061 0.83 LMNA (0.40) SMN1; SMN2LMNACYP1A2F2PRSS1
SCHEMBL8078920 0.82 LMNA (0.39) LMNANOS3NOS1METTL3RAB9A
SCHEMBL7654943 0.82 LMNA (0.39) LMNANOS3NOS1METTL3RAB9A
SCHEMBL31264445 0.75 CES2 (0.43) SMN1; SMN2LMNAPTBP1TRPA1CYP1A2
SCHEMBL16202051 0.74 LMNA (0.66) SMN1; SMN2LMNAPTBP1TRPA1CYP1A2
SCHEMBL6076756 0.74 LMNA (0.66) SMN1; SMN2LMNAPTBP1TRPA1CYP1A2
SCHEMBL6449347 0.71 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPTBP1TRPA1CYP1A2

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-1175394-B1 N-ALKOXY-N-PHENYLCARBAMATE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-01-02 EP disclosed
US-6486341-B1 N-alkoxy-n-phenylcarbamate derivatives BAYER AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-1175394-A2 N-ALKOXY-N-PHENYLCARBAMATE DERIVATIVES Bayer Aktiengesellschaft (DE) 2002-01-30 EP disclosed
WO-2000041476-A2 N-ALKOXY-N-PHENYLCARBAMATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed