SCHEMBL4704987

SCHEMBL4704987

COc1ccccc1-c1cccc2c1NC(C)(C)C=C2CSCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.57
▸ NR3C1 P04150 15/20 0.52
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL4705889 0.91 PGR (0.67) PGRNR3C1
SCHEMBL4705877 0.90 PGR (0.58) PGRNR3C1LMNAMAPT
SCHEMBL4702754 0.83 PGR (0.52) PGRNR3C1
SCHEMBL4704793 0.83 NR3C1 (0.68) PGRNR3C1
SCHEMBL4702720 0.82 NR3C1 (0.67) PGRNR3C1
SCHEMBL4702908 0.82 PGR (0.85) PGRNR3C1
SCHEMBL4704371 0.81 NR3C1 (0.68) PGRNR3C1
SCHEMBL4702889 0.80 NR3C1 (0.68) PGRNR3C1
SCHEMBL4702496 0.80 NR3C1 (0.70) PGRNR3C1
SCHEMBL4706154 0.77 PGR (0.47) PGRNR3C1LMNAMAPT

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
EP-1532113-B1 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2008-08-06 — — EP claimed
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