SCHEMBL31222085

SCHEMBL31222085

CCc1nn(-c2nccs2)cc1C(=O)NNc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 4/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 3/20 0.35
PPARG P37231 1/20 0.35
MAPK10 P53779 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
AURKA O14965 4/20 0.35
ADORA2A P29274 3/20 0.34

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
SCHEMBL31222119 0.91 GAA (0.39) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL31222076 0.90 GAA (0.42) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL31222103 0.90 ALDH1A1 (0.43) SMN1; SMN2GAAALDH1A1MAPTTDP1
SCHEMBL31222121 0.90 HSD17B10 (0.39) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL31222088 0.86 AURKA (0.38) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL31222112 0.84 ALDH1A1 (0.37) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL31222122 0.82 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL31222090 0.82 LMNA (0.38) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL31222123 0.81 ALDH1A1 (0.35) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL31222102 0.80 MEN1 (0.45) ALDH1A1KDM4EHPGDMAPTTDP1

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