SCHEMBL31208321

SCHEMBL31208321

CS(=O)(=O)c1nc2cc(F)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
PTPN1 P18031 4/20 0.42
PTPN5 P54829 4/20 0.42
PTPN2 P17706 3/20 0.42
HSPD1 P10809 2/20 0.42
HSPE1 P61604 2/20 0.42
MPO P05164 1/20 0.40
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39

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
SCHEMBL1748273 1.00 FBP1 (0.44) FBP1PTPN1PTPN5PTPN2HSPD1
SCHEMBL1748264 0.87 MAPT (0.41) FBP1GABRPGABRDGABRA1GABRB1
SCHEMBL1748058 0.81 KDM4E (0.51) FBP1PTPN1PTPN5PTPN2ALDH1A1
SCHEMBL31208297 0.81 KDM4E (0.51) FBP1PTPN1PTPN5PTPN2ALDH1A1
SCHEMBL18613864 0.80 FBP1 (0.44) FBP1PTPN1PTPN5PTPN2HSPD1
SCHEMBL1748135 0.78 MAPT (0.51) ALDH1A1LMNAHTTPOLBL3MBTL1
SCHEMBL305334 0.75 LMNA (0.53) PTPN1PTPN5PTPN2ALDH1A1LMNA
SCHEMBL1747969 0.75 GAA (0.42) PTPN1PTPN5PTPN2CA2ALDH1A1
SCHEMBL1748015 0.74 SMN1; SMN2 (0.37) FBP1ALDH1A1F2RL3MAPTSMN1; SMN2
SCHEMBL30300530 0.73 L3MBTL1 (0.56) MPOGABRPGABRDGABRA1GABRB1

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-113874074-B HMOX1 inducers 米托布里奇公司 2024-11-01 CN disclosed