SCHEMBL22018309

SCHEMBL22018309

O=C(NC1CC1)c1cc[n+](CCCOS(=O)(=O)[O-])nc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22018046 0.84 LMNA (0.41) CA12CA9LMNARAB9AKMT2A
SCHEMBL22018323 0.83 ALDH1A1 (0.39) RAB9AKMT2AHPGDALDH1A1
SCHEMBL22018321 0.83 CA12 (0.35) CA12CA9RAB9AHPGDALDH1A1
SCHEMBL22018302 0.81 SMN1; SMN2 (0.40) LMNARAB9AKMT2AHPGDALDH1A1
SCHEMBL22017897 0.81 CA12 (0.43) CA12CA9
SCHEMBL22018045 0.77 ALDH1A1 (0.41) RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL22018103 0.76 CA12 (0.36) CA12CA9LMNARAB9AKMT2A
SCHEMBL22017879 0.73 GRM5 (0.43) RAB9AKMT2AHPGDALDH1A1L3MBTL1
SCHEMBL22017880 0.72 GRM5 (0.44) RAB9AKMT2AHPGDALDH1A1
SCHEMBL20753278 0.71 CYP2C19 (0.32)

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
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed