SCHEMBL13620940

SCHEMBL13620940

CC1Nc2c(cc(-c3cccc4[nH]ncc34)c3c2CCC3)C(C)(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.49
▸ CREBBP Q92793 2/20 0.49
▸ NR3C1 P04150 9/20 0.41
▸ PGR P06401 2/20 0.39
▸ ATAD2 Q6PL18 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ OTUD7B Q6GQQ9 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
SCHEMBL3226492 0.82 NR3C1 (0.62) BRD4CREBBPNR3C1PGRATAD2
SCHEMBL17680795 0.66 CREBBP (1.00) BRD4CREBBP
SCHEMBL3231379 0.65 NR3C1 (0.63) BRD4NR3C1PGR
SCHEMBL3226272 0.64 NR3C1 (0.59) BRD4NR3C1PGRATRABL1
SCHEMBL3219690 0.63 NR3C1 (0.66) BRD4NR3C1PGR
SCHEMBL30775188 0.62 METAP2 (0.50) BRD4CREBBPMETAP2LRRK2
SCHEMBL3231133 0.62 NR3C1 (0.86) NR3C1PGR
SCHEMBL12315709 0.61 METAP2 (0.64) BRD4CREBBPATAD2METAP2
SCHEMBL3227855 0.59 NR3C1 (0.60) NR3C1PGR
SCHEMBL3227845 0.59 NR3C1 (0.60) NR3C1PGR

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-2116538-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-11-11 — — EP disclosed
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