SCHEMBL22809456

SCHEMBL22809456

CNCCNc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
HTT P42858 2/20 0.65
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
JAK2 O60674 1/20 0.60
LMNA P02545 1/20 0.60
HSP90AA1 P07900 1/20 0.60
PKM P14618 1/20 0.60
MC4R P32245 1/20 0.60
CCR6 P51684 1/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60
TLR9 Q9NR96 1/20 0.60
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 4/20 0.56
NPC1 O15118 2/20 0.56

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
SCHEMBL13197581 0.86 POLB (0.67) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL22809623 0.84 MEN1 (0.64) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL12315723 0.84 POLB (0.64) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL648146 0.83 MEN1 (0.63) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL3370447 0.83 L3MBTL1 (0.63) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL30149975 0.83 L3MBTL1 (0.63) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL13970642 0.82 POLB (0.62) POLBMEN1KMT2AHTTALDH1A1
SCHEMBL25057001 0.82 ALDH1A1 (0.69) POLBMEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL31427595 0.81 L3MBTL1 (0.61) POLBMEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL28336950 0.81 L3MBTL1 (0.61) POLBMEN1KMT2AHTTALDH1A1

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