SCHEMBL30938682

SCHEMBL30938682

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
TSHR P16473 2/20 0.62
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL28080757 0.84 BRD4 (0.59) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1315264 0.82 MAPT (0.45) MAPTSMN1; SMN2TSHRLMNAMEN1
SCHEMBL28373631 0.79 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TSHRLMNAMEN1
SCHEMBL22558313 0.79 MAPT (0.56) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2581844 0.78 MAPT (0.62) MAPTSMN1; SMN2TSHRLMNAMEN1
SCHEMBL28396678 0.77 KMT2A (0.55) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL28229562 0.77 PTGS2 (0.57) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28406243 0.76 KEAP1 (0.47) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL22340293 0.75 FLT3 (0.56) MAPTL3MBTL1
SCHEMBL28290914 0.74 SMN1; SMN2 (0.61) MAPTSMN1; SMN2TSHRLMNAMEN1

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-118184606-A Method for preparing 2, 5-disubstituted and 2,3, 5-trisubstituted furan skeleton derivative 中国医学科学院药物研究所 2024-06-14 CN disclosed