SCHEMBL30968554

SCHEMBL30968554

COC(=O)c1sc2ncc(F)cc2c1N

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
IKBKB O14920 1/20 0.51

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
SCHEMBL20722662 1.00 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL7846025 0.84 IKBKB (0.72) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL7848765 0.84 MAPT (0.55) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL31167190 0.83 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL7837105 0.83 MAPT (0.54) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL31167168 0.83 ALDH1A1 (0.51) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL19212108 0.83 KDM4E (0.51) MAPTKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL30968405 0.82 IKBKB (0.52) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL20722607 0.82 IKBKB (0.52) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL16504884 0.78 ALDH1A1 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978521-A Preparation method and application of fused ring compound 江苏普莱医药生物技术有限公司 2024-11-19 CN disclosed
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed