SCHEMBL31222074

SCHEMBL31222074

O=C(NNc1ccc(Cl)cc1Cl)c1cn(-c2nccs2)nc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.36
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KCNMA1 Q12791 2/20 0.35
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P2RX7 Q99572 3/20 0.35
MEN1 O00255 2/20 0.34
GCK P35557 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 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
SCHEMBL31222078 0.91 GAA (0.43) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222087 0.89 GRM4 (0.37) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222092 0.86 GAA (0.43) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222077 0.85 GAA (0.45) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222091 0.85 GAA (0.43) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222071 0.83 GAA (0.43) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222095 0.82 GAA (0.42) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222098 0.80 ALDH1A1 (0.39) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222073 0.80 GAA (0.41) GAAALDH1A1MAPTTDP1LMNA
SCHEMBL31222101 0.79 GRM4 (0.37) GAAALDH1A1MAPTTDP1LMNA

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
CN-118994136-A Pyrazole compound containing N1-heterocycle, and preparation method and application thereof 安阳师范学院 2024-11-22 CN disclosed