SCHEMBL28445685

SCHEMBL28445685

CC(C)(C)C(=O)OC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(F)c3)ccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.56
▸ TP53 P04637 5/20 0.56
▸ LMNA P02545 5/20 0.54
▸ TSHR P16473 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ POLB P06746 3/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL28449581 0.90 MAPT (0.58) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL28898452 0.88 MAPT (0.56) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL28457838 0.88 MAPT (0.56) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL28457842 0.86 MAPT (0.55) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL28457871 0.85 LMNA (0.53) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL19367498 0.85 MAPT (0.63) MAPTTP53LMNATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL28454395 0.85 LMNA (0.52) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL28456325 0.85 MAPT (0.53) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL28460354 0.84 LMNA (0.52) MAPTTP53LMNATSHRSMN1; SMN2
SCHEMBL15076711 0.84 CYP3A4 (0.67) MAPTTP53LMNATSHRSMN1; SMN2

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-109879799-B Sulfamoyl benzamide compound containing 4-carbonyloxypiperidine and preparation method thereof 浙江司太立制药股份有限公司 2020-08-11 — — CN disclosed
Send feedback