SCHEMBL28534702

SCHEMBL28534702

C=Cc1cc(OC)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.61
PPARG P37231 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 2/20 0.51
SQSTM1 Q13501 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA3 P34903 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NFKBIA P25963 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
TRIM24 O15164 1/20 0.49

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
SCHEMBL30958863 0.88 FFAR4 (0.63) FFAR4PPARGMEN1KMT2APOLB
SCHEMBL28702887 0.86 CYP2C9 (0.57) FFAR4MEN1KMT2APOLBKEAP1
SCHEMBL5955298 0.83 FFAR4 (0.71) FFAR4MEN1KMT2AKEAP1NFE2L2
SCHEMBL3511632 0.83 CYP2C9 (0.60) FFAR4PPARGMEN1KMT2AMAPT
SCHEMBL28389707 0.82 FFAR4 (0.60) FFAR4PPARGKMT2AKEAP1NFE2L2
SCHEMBL3515468 0.81 CYP2C9 (0.74) KEAP1NFE2L2LMNACYP2C9CYP2C19
SCHEMBL28706316 0.81 ALDH1A1 (0.62) FFAR4MEN1KMT2APOLBKEAP1
SCHEMBL28546782 0.81 APP (0.57) FFAR4KMT2AKEAP1NFE2L2MAPT
SCHEMBL28709216 0.81 METAP2 (0.60) FFAR4MEN1KMT2APOLBKEAP1
SCHEMBL28702608 0.81 CYP2C9 (0.67) FFAR4KMT2APOLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105858-B 3-azido indoline compound and method for electrochemically synthesizing 3-azido indoline compound 合肥师范学院 2023-10-13 CN disclosed
CN-114105858-A 3-azidoindoline compound and method for electrochemically synthesizing 3-azidoindoline compound 合肥师范学院 2022-03-01 CN disclosed
CN-108440379-B Method for synthesizing nitrogen-containing heterocyclic compound by double amination of olefin in water phase 安徽德信佳生物医药有限公司 2021-03-30 CN disclosed