SCHEMBL28116520

SCHEMBL28116520

O=S(=O)(c1ccc(NC(=S)NCc2cccnc2)cc1)N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.76
ALDH1A1 P00352 3/20 0.76
MAPT P10636 2/20 0.76
LMNA P02545 1/20 0.76
GAA P10253 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
POLB P06746 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP2C9 P11712 1/20 0.58

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
SCHEMBL28116136 0.95 NAMPT (0.77) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28116140 0.95 NAMPT (0.80) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28837244 0.93 NAMPT (0.73) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28116167 0.92 NAMPT (0.72) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28116519 0.92 NAMPT (0.72) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28116158 0.92 NAMPT (0.72) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28116253 0.92 NAMPT (0.72) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28116521 0.91 NAMPT (0.69) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28896021 0.90 NAMPT (0.70) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL28116512 0.90 NAMPT (0.70) NAMPTALDH1A1MAPTLMNAGAA

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