SCHEMBL9702375

SCHEMBL9702375

CCCCCc1ccc(-c2ccc(CCc3nnc(CC)s3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
RAB9A P51151 2/20 0.54
AKT1 P31749 1/20 0.52
HSD11B1 P28845 2/20 0.47
RARB P10826 7/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
RARA P10276 1/20 0.45
MTOR P42345 1/20 0.45
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42

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
SCHEMBL9704935 0.94 KDM4E (0.56) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9702712 0.94 KDM4E (0.56) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9705022 0.92 KDM4E (0.55) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9702960 0.92 KDM4E (0.55) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9703126 0.89 KDM4E (0.51) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9702795 0.89 MEN1 (0.43) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9704095 0.88 ALDH1A1 (0.50) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9702998 0.88 RAB9A (0.66) KDM4ERAB9AAKT1HSD11B1RARB
SCHEMBL9703146 0.85 RAB9A (0.46) KDM4ERAB9AHSD11B1RARBHSD17B10
SCHEMBL9702884 0.83 KDM4E (0.68) KDM4ERAB9AAKT1HSD11B1RARB

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
US-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed