SCHEMBL8524875

SCHEMBL8524875

CC1CCC(=O)N(C(C)C)c2ccc(-c3csc(-c4ccncc4)n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
CDC25A P30304 3/20 0.40
CDC25B P30305 3/20 0.40
CDC25C P30307 3/20 0.40
DUSP3 P51452 3/20 0.40
CYP19A1 P11511 4/20 0.39
LMNA P02545 2/20 0.39
AR P10275 2/20 0.39
KMT2A Q03164 1/20 0.38
CDK5 Q00535 4/20 0.37
CDK5R1 Q15078 4/20 0.37
ALDH1A1 P00352 1/20 0.36
TRIM24 O15164 1/20 0.35
EIF4E P06730 1/20 0.34

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
SCHEMBL8523920 0.88 CDC25A (0.42) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8525211 0.82 CDC25A (0.43) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8525097 0.81 CDC25A (0.46) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8483824 0.79 CDC25A (0.56) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8525207 0.79 KDM4E (0.42) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8524649 0.77 RARA (0.44) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8484612 0.76 RAB9A (0.47) KDM4ERAB9ASMN1; SMN2NPC1CYP19A1
SCHEMBL8524583 0.76 CDC25A (0.44) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8524425 0.73 KDM4E (0.44) KDM4ERAB9ASMN1; SMN2NPC1CDC25A
SCHEMBL8484367 0.72 CDC25A (0.48) KDM4ERAB9ASMN1; SMN2NPC1CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed