SCHEMBL28330755

SCHEMBL28330755

CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
SIRT2 Q8IXJ6 2/20 0.62
SIRT1 Q96EB6 2/20 0.62
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 7/20 0.55
RAB9A P51151 5/20 0.54
EPHX1 P07099 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
NPC1 O15118 3/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.51

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
Hydrochloric Acid SCHEMBL9893477 0.87 SIRT2 (0.63) MAPTSIRT2SIRT1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9893475 0.86 SIRT2 (0.61) MAPTSIRT2SIRT1KDM4EALDH1A1
SCHEMBL14096532 0.84 KMT2A (0.72) MAPTKDM4EALDH1A1RAB9ANPSR1
SCHEMBL14096440 0.82 EPHX1 (0.78) MAPTALDH1A1RAB9AEPHX1NPSR1
SCHEMBL907582 0.81 SIRT1 (0.65) MAPTSIRT2SIRT1KDM4EALDH1A1
SCHEMBL104524 0.81 SMN1; SMN2 (0.61) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL16229385 0.80 SIRT2 (0.78) SIRT2SIRT1
SCHEMBL17826598 0.79 SIRT2 (0.77) MAPTSIRT2SIRT1
SCHEMBL4178607 0.79 ALDH1A1 (0.56) MAPTSIRT2SIRT1KDM4EALDH1A1
SCHEMBL23844169 0.78 LMNA (0.76) MAPTKDM4EALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110478344-B Application of acylthiourea compound in preparation of anti-influenza B virus medicine 武汉大学 2022-07-19 CN disclosed
CN-110483425-B Acyl thiourea compound, preparation method thereof and application of acyl thiourea compound in resisting influenza A virus 武汉大学 2021-07-20 CN disclosed
CN-110478344-A A kind of acyl thiourea compound is preparing the application in anti-influenza B virus drug UNIV WUHAN 2019-11-22 CN disclosed
CN-110483425-A A kind of application of the acyl thiourea compound and preparation method thereof with anti-influenza A virus UNIV WUHAN 2019-11-22 CN disclosed