SCHEMBL21101550

SCHEMBL21101550

CCNC(=O)c1scnc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NAMPT P43490 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
PREP P48147 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
STAT1 P42224 1/20 0.45
KMT2A Q03164 1/20 0.45
KIF11 P52732 1/20 0.43
VHL P40337 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CRACR2A Q9BSW2 2/20 0.39
HDAC4 P56524 1/20 0.38

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
SCHEMBL1881319 0.81 KDM4E (0.60) PKMKDM4ENAMPTSMN1; SMN2PREP
SCHEMBL31268628 0.81 PKM (0.51) PKMKDM4ENAMPTSMN1; SMN2PREP
SCHEMBL31391808 0.79 KDM4E (0.62) PKMKDM4ENAMPTSMN1; SMN2PREP
SCHEMBL3372210 0.78 PKM (0.60) PKMKDM4ENAMPTSMN1; SMN2PREP
SCHEMBL3048657 0.78 SMN1; SMN2 (0.59) PKMKDM4ENAMPTSMN1; SMN2L3MBTL1
SCHEMBL15313327 0.77 HDAC4 (0.41) PKMKDM4ESMN1; SMN2NPC1HPGD
SCHEMBL29242196 0.77 PREP (0.46) PKMKDM4ENAMPTSMN1; SMN2PREP
SCHEMBL4559627 0.76 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL5277365 0.75 PKM (0.56) PKMKDM4ENAMPTSMN1; SMN2PREP
SCHEMBL17971458 0.75 NAMPT (0.49) PKMKDM4ENAMPTNPC1HPGD

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-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 CN disclosed
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed