SCHEMBL31572201

SCHEMBL31572201

Clc1nnc(N2CCCC2)c2cc3ccccc3cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
GFER P55789 2/20 0.71
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ATM Q13315 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
ABCB1 P08183 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL22440000 1.00 MEN1 (0.71) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL2210096 0.83 MEN1 (1.00) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL20315169 0.81 MEN1 (0.67) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL31572194 0.78 MAPT (0.45) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL8423973 0.78 MAPT (0.45) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL30969482 0.78 MAPT (0.45) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL31572208 0.74 KMT2A (0.54) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL22440034 0.74 KMT2A (0.54) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL25533157 0.73 HPGD (0.52) MEN1KMT2AGFERHPGDSMN1; SMN2
SCHEMBL27829670 0.71 KMT2A (0.72) MEN1KMT2AGFERHPGDSMN1; SMN2

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-111712246-B Bis (hydroxymethyl) pyrrolopyrazine hybrid, preparation method and application thereof 周美吟 2025-05-06 CN disclosed