SCHEMBL22809449

SCHEMBL22809449

CNCCOc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL22809637 0.96 ALDH1A1 (0.51) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL22809587 0.90 SCN9A (0.42) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL13197550 0.83 CYP1A2 (0.52) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL16592086 0.82 SMN1; SMN2 (0.52) LMNAALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL22809573 0.81 SCN9A (0.42) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL19664461 0.80 SMN1; SMN2 (0.53) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL16592103 0.80 CYP1A2 (0.52) SCN9ALMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL14051590 0.80 CYP1A2 (0.55) LMNAALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL22809511 0.79 CYP1A2 (0.51) LMNAALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL30433202 0.79 SMN1; SMN2 (0.52) SCN9ALMNAALDH1A1SMN1; SMN2HPGD

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-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP disclosed