SCHEMBL8136368

SCHEMBL8136368

CC1=CC(C)(C)Nc2cccc(-c3cscc3C#N)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PGR P06401 18/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NR3C1 P04150 5/20 0.42
▸ AR P10275 5/20 0.42
▸ NR3C2 P08235 2/20 0.40

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
SCHEMBL8011571 0.75 PGR (0.63) ALDH1A1HSD17B10PGRKDM4EHPGD
SCHEMBL27556565 0.71 PGR (0.57) ALDH1A1CYP3A4HSD17B10TDP1PGR
SCHEMBL11653695 0.68 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10TDP1PGR
SCHEMBL5498189 0.68 PGR (0.47) PGRNR3C1ARNR3C2
SCHEMBL4182318 0.65 PGR (0.66) ALDH1A1CYP3A4HSD17B10TDP1PGR
SCHEMBL940450 0.65 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TDP1PGR
SCHEMBL44875 0.65 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TDP1PGR
SCHEMBL29351296 0.65 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TDP1PGR
SCHEMBL4192784 0.63 PGR (0.48) ALDH1A1HSD17B10PGRKDM4EHPGD
SCHEMBL9420120 0.63 ALDH1A1 (0.96) ALDH1A1CYP3A4HSD17B10TDP1PGR

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-1041066-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 — — EP disclosed
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