SCHEMBL27417396

SCHEMBL27417396

O=C(F)c1cnc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.40
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
KCNQ3 O43525 3/20 0.33
KCNQ2 O43526 3/20 0.33
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL28662886 0.83 NNMT (0.42) NNMTTSHRCASP1SMN1; SMN2NAPRT
SCHEMBL16333365 0.83 NNMT (0.42) NNMTTSHRCASP1SMN1; SMN2NAPRT
SCHEMBL29577063 0.83 NNMT (0.42) NNMTTSHRCASP1SMN1; SMN2NAPRT
SCHEMBL29446081 0.81 SMN1; SMN2 (0.47) NNMTTSHRCASP1SMN1; SMN2NAPRT
SCHEMBL625580 0.81 SMN1; SMN2 (0.47) NNMTTSHRCASP1SMN1; SMN2NAPRT
SCHEMBL29562604 0.79 NNMT (0.43) NNMTSMN1; SMN2NAPRTSIRT6KCNQ3
SCHEMBL29799541 0.79 NNMT (0.61) NNMTSIRT6
SCHEMBL384113 0.79 NNMT (0.61) NNMTSIRT6
SCHEMBL13304188 0.79 NNMT (0.43) NNMTSMN1; SMN2NAPRTSIRT6KCNQ3
Lithium Ion SCHEMBL26915225 0.78 NNMT (0.39) NNMTTSHRCASP1SMN1; SMN2NAPRT

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-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed