SCHEMBL28565670

SCHEMBL28565670

Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
ALDH1A1 P00352 9/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALOX12 P18054 3/20 0.55
GAA P10253 1/20 0.55
P2RX5 Q93086 1/20 0.55
P2RX4 Q99571 1/20 0.55
P2RX7 Q99572 1/20 0.55
P2RX2 Q9UBL9 1/20 0.55
CYP1A2 P05177 1/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EPHX1 P07099 1/20 0.52
PLK1 P53350 1/20 0.51
LMNA P02545 3/20 0.50
KCNH2 Q12809 1/20 0.49
AKT1 P31749 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL28659012 0.87 RAB9A (0.52) MAPTALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL29661164 0.87 ALDH1A1 (0.71) MAPTALDH1A1SMN1; SMN2ALOX12GAA
SCHEMBL2344119 0.87 ALDH1A1 (0.71) MAPTALDH1A1SMN1; SMN2ALOX12GAA
SCHEMBL11513071 0.86 EPHX1 (0.69) MAPTALDH1A1SMN1; SMN2ALOX12GAA
SCHEMBL15135742 0.85 NPC1 (0.61) MAPTALDH1A1SMN1; SMN2ALOX12GAA
SCHEMBL11515049 0.84 PLK1 (0.65) MAPTALDH1A1ALOX12RAB9ANPC1
SCHEMBL28557009 0.83 NPC1 (0.58) MAPTALDH1A1SMN1; SMN2ALOX12RAB9A
SCHEMBL2342014 0.82 ALDH1A1 (0.72) MAPTALDH1A1SMN1; SMN2ALOX12GAA
SCHEMBL12316692 0.80 AKT1 (0.55) MAPTALDH1A1SMN1; SMN2ALOX12GAA
SCHEMBL2344788 0.79 KMT2A (0.68) MAPTALDH1A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112807294-B Application of acyl thiourea compound in preparation of medicines for treating or preventing herpes simplex virus type I infection 武汉大学 2023-09-05 CN claimed
CN-113582969-A Application of acylthiourea compound in preparation of anti-enterovirus drugs 武汉大学 2021-11-02 CN claimed
CN-112807294-A Application of acylthiourea compound in preparation of medicine for treating or preventing herpes simplex virus I-type infection 武汉大学 2021-05-18 CN claimed
CN-112807294-B Application of acyl thiourea compound in preparation of medicines for treating or preventing herpes simplex virus type I infection 武汉大学 2023-09-05 CN disclosed
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-113582969-B Application of acylthiourea compound in preparation of anti-enterovirus drugs 武汉大学 2022-06-14 CN disclosed
CN-113582969-A Application of acylthiourea compound in preparation of anti-enterovirus drugs 武汉大学 2021-11-02 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-112807294-A Application of acylthiourea compound in preparation of medicine for treating or preventing herpes simplex virus I-type infection 武汉大学 2021-05-18 CN disclosed