SCHEMBL4702719

SCHEMBL4702719

CC1(C)C=C(CSCc2ccccc2)c2cccc(-c3ccccc3)c2N1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.55
▸ NR3C1 P04150 13/20 0.45
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4706431 0.85 NR3C1 (0.54) PGRNR3C1CYP1A2CYP3A4CYP2D6
SCHEMBL4705889 0.84 PGR (0.67) PGRNR3C1L3MBTL1
SCHEMBL4702992 0.84 PGR (0.57) PGRNR3C1
SCHEMBL4706734 0.81 NR3C1 (0.60) PGRNR3C1L3MBTL1
SCHEMBL4706194 0.79 PGR (0.55) PGRNR3C1
SCHEMBL4702596 0.79 NR3C1 (0.61) PGRNR3C1
SCHEMBL4702715 0.77 PGR (0.74) PGRNR3C1ALDH1A1CYP1A2CYP3A4
SCHEMBL4704555 0.77 NR3C1 (0.51) PGRNR3C1ALDH1A1CYP1A2CYP3A4
SCHEMBL4705877 0.77 PGR (0.58) PGRNR3C1ALDH1A1HPGDHSD17B10
SCHEMBL4704987 0.76 PGR (0.57) PGRNR3C1TDP1

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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