SCHEMBL28837256

SCHEMBL28837256

O=S(=O)(c1ccc(NC(=S)NCc2cccnc2)cc1)N1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.70
GAA P10253 2/20 0.70
ALDH1A1 P00352 2/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.54

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
SCHEMBL28116253 0.91 NAMPT (0.72) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28116140 0.91 NAMPT (0.80) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28116512 0.90 NAMPT (0.70) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28116142 0.90 NAMPT (0.70) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28116136 0.89 NAMPT (0.77) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28116652 0.89 NAMPT (0.71) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28116520 0.89 NAMPT (0.76) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28837244 0.87 NAMPT (0.73) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28837290 0.86 NAMPT (0.70) NAMPTGAAALDH1A1LMNAMAPT
SCHEMBL28116158 0.86 NAMPT (0.72) NAMPTGAAALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103709096-B Urea type derivative used as nicotinamide ribose phosphate transferase inhibitor, as well as preparation method and application thereof 中国人民解放军第二军医大学 2017-01-18 CN claimed
CN-103709096-B Urea type derivative used as nicotinamide ribose phosphate transferase inhibitor, as well as preparation method and application thereof 中国人民解放军第二军医大学 2017-01-18 CN disclosed