SCHEMBL30410106

SCHEMBL30410106

CNS(=O)(=O)c1ccc(NC2CCCCC2)c(-c2nc(C)n(C)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
YAP1 P46937 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PTGS2 P35354 3/20 0.37
MAPT P10636 1/20 0.37
CHEK1 O14757 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.37
PIM1 P11309 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37
MAP2K2 P36507 1/20 0.37

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
SCHEMBL20766518 1.00 BRD4 (0.43) BRD4ALOX15ALDH1A1LMNATSHR
SCHEMBL20766210 0.82 BRD4 (0.41) BRD4ALOX15ALDH1A1LMNATSHR
SCHEMBL20766974 0.82 BRD4 (0.45) BRD4ALOX15ALDH1A1LMNATSHR
SCHEMBL20766828 0.80 ALOX15 (0.44) BRD4ALOX15ALDH1A1LMNAYAP1
SCHEMBL20766476 0.80 PTGS2 (0.42) BRD4ALOX15YAP1PTGS2
SCHEMBL20767455 0.80 BRD4 (0.41) BRD4ALOX15ALDH1A1LMNATSHR
SCHEMBL30410749 0.80 PTGS2 (0.42) BRD4ALOX15YAP1PTGS2
SCHEMBL20779572 0.80 ALDH1A1 (0.37) BRD4ALOX15ALDH1A1LMNATSHR
SCHEMBL20766257 0.78 BRD4 (0.38) BRD4ALOX15ALDH1A1LMNATSHR
SCHEMBL20766252 0.78 BRD4 (0.38) BRD4ALOX15ALDH1A1LMNATSHR

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-111542315-B Benzosulfonyl compounds 维瓦斯治疗公司 2023-05-12 CN disclosed