SCHEMBL8524519

SCHEMBL8524519

CCCCCCCCCCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1.OCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
RARB P10826 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RARA P10276 1/20 0.39
MTOR P42345 1/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6957300 0.95 HSD11B1 (0.47) HSD11B1RARBALDH1A1MAPTMEN1
SCHEMBL6949197 0.95 HSD11B1 (0.47) HSD11B1RARBALDH1A1MAPTMEN1
SCHEMBL6953051 0.90 HSD11B1 (0.47) HSD11B1TP53AGTR1RAB9ASMN1; SMN2
SCHEMBL6956381 0.86 CA2 (0.36) HSD11B1EGFRAGTR1
SCHEMBL1773521 0.86 FYN (0.39) AGTR1
SCHEMBL6960893 0.85 CA2 (0.35) HSD11B1EGFRAGTR1
SCHEMBL6961100 0.85 NPC1 (0.39) MAPTAGTR1RAB9A
SCHEMBL6949584 0.83 LTA4H (0.37) HSD11B1AGTR1
SCHEMBL9709732 0.83 LTB4R2 (0.41) CYP3A4AGTR1
SCHEMBL6956844 0.83 GP6 (0.35) HSD11B1AGTR1

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-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed