SCHEMBL8524902

SCHEMBL8524902

CC(C)N1C(=S)CCCc2cc(-c3csc(-c4ccncc4)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 5/20 0.44
CDC25A P30304 4/20 0.44
CDC25B P30305 4/20 0.44
CDC25C P30307 4/20 0.44
DUSP3 P51452 4/20 0.44
LMNA P02545 2/20 0.41
AR P10275 2/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CYP19A1 P11511 4/20 0.39
TP53 P04637 2/20 0.38
GFER P55789 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
SCHEMBL8525097 0.88 CDC25A (0.46) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
SCHEMBL8484367 0.81 CDC25A (0.48) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
SCHEMBL8483824 0.81 CDC25A (0.56) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
SCHEMBL8525211 0.80 CDC25A (0.43) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
SCHEMBL8636852 0.79 CDC25A (0.57) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
SCHEMBL8483334 0.79 CDC25A (0.50) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
Hydrochloric Acid SCHEMBL8524829 0.79 CYP19A1 (0.48) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
SCHEMBL8483711 0.78 CDC25A (0.46) RAB9ASMN1; SMN2KDM4ENPC1CDC25A
SCHEMBL8480593 0.77 CDC25A (0.43) RAB9ASMN1; SMN2NPC1CDC25ACDC25B
SCHEMBL8525471 0.76 CDC25A (0.43) RAB9ASMN1; SMN2NPC1CDC25ACDC25B

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