SCHEMBL28116136

SCHEMBL28116136

O=S(=O)(c1ccc(NC(=S)NCc2cccnc2)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.77
ALDH1A1 P00352 2/20 0.77
LMNA P02545 2/20 0.77
GAA P10253 2/20 0.77
MAPT P10636 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL28116140 0.96 NAMPT (0.80) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28116520 0.95 NAMPT (0.76) NAMPTALDH1A1LMNAGAAMAPT
Maleic Acid SCHEMBL28116530 0.95 NAMPT (0.72) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28837244 0.94 NAMPT (0.73) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28896021 0.93 NAMPT (0.70) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28116158 0.93 NAMPT (0.72) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28116167 0.93 NAMPT (0.72) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28116253 0.93 NAMPT (0.72) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28116519 0.93 NAMPT (0.72) NAMPTALDH1A1LMNAGAAMAPT
SCHEMBL28116509 0.92 NAMPT (0.71) NAMPTALDH1A1LMNAGAAMAPT

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