SCHEMBL30855003

SCHEMBL30855003

c1csc(NCc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALOX12 P18054 2/20 0.56
HTT P42858 2/20 0.56
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
PLK4 O00444 1/20 0.46
FYN P06241 1/20 0.46
ACHE P22303 1/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL30855028 0.89 SMN1; SMN2 (0.51) MAPTKDM4EALOX12HTTL3MBTL1
SCHEMBL30855001 0.86 NCF1 (0.51) KDM4ERAB9AL3MBTL1GAANPC1
SCHEMBL30854953 0.86 AGXT (0.48) MAPTKDM4EALOX12HTTALDH1A1
SCHEMBL899406 0.79 CYP1A1 (0.67) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL30855012 0.74 MAPT (0.89) MAPTKDM4EALOX12HTTRAB9A
SCHEMBL30854964 0.74 CXCR4 (0.64) MAPTKDM4EALOX12HTTRAB9A
SCHEMBL30854968 0.74 KDM4E (0.57) MAPTKDM4EALOX12HTTRAB9A
SCHEMBL15545775 0.74 CYP1A2 (0.57) MAPTKDM4EALOX12HTTRAB9A
SCHEMBL30854990 0.74 PRMT6 (0.53) KDM4EL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL171893 0.73 KDM4E (0.62) KDM4ERAB9AL3MBTL1GAANPC1

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-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed