SCHEMBL16791726

SCHEMBL16791726

COc1ccc(Cl)cc1C#CCCO

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.50
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PGK1 P00558 1/20 0.38

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
SCHEMBL1838731 0.88 PTGDR2 (0.41) PTGDR2POLBMEN1KMT2ACYP2C9
SCHEMBL4878167 0.79 MAPT (0.53) PTGDR2POLBMEN1KMT2ACYP2C9
SCHEMBL23266142 0.77 ALDH1A1 (0.47) PTGDR2MEN1KMT2ACYP2C9LMNA
SCHEMBL22075510 0.76 PGK1 (0.38) PTGDR2CYP2C9ALDH1A1PGK1
SCHEMBL6253178 0.75 EGFR (0.47) POLBCYP2C9LMNAALDH1A1
SCHEMBL9083244 0.75 PGK1 (0.46) CYP2C9ALDH1A1PGK1
SCHEMBL4861567 0.73 ATM (0.47) MEN1KMT2ALMNAALDH1A1
SCHEMBL22075488 0.72 PGK1 (0.38) CYP2C9ALDH1A1PGK1
SCHEMBL3041368 0.72 PTGDR2 (0.47) PTGDR2MEN1KMT2ACYP2C9ALDH1A1
SCHEMBL16792065 0.71 PTGDR2 (0.46) PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080132-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-10-19 — — EP disclosed
WO-2015085925-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2015-06-18 — — WO disclosed
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