SCHEMBL8214067

SCHEMBL8214067

[CH2]CCCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.80
▸ SMCHD1 A6NHR9 1/20 0.80
▸ MYO1G B0I1T2 1/20 0.80
▸ AIP O00170 1/20 0.80
▸ AP3B1 O00203 1/20 0.80
▸ PSMD11 O00231 1/20 0.80
▸ CDC7 O00311 1/20 0.80
▸ SAP18 O00422 1/20 0.80
▸ KPNA3 O00505 1/20 0.80
▸ PPP6C O00743 1/20 0.80
▸ TCERG1 O14776 1/20 0.80
▸ UBE2L6 O14933 1/20 0.80
▸ PPP1R12A O14974 1/20 0.80
▸ U2SURP O15042 1/20 0.80
▸ SETD1A O15047 1/20 0.80
▸ ARPC1B O15143 1/20 0.80
▸ POLR1C O15160 1/20 0.80
▸ OGT O15294 1/20 0.80
▸ PPM1G O15355 1/20 0.80
▸ SLC16A3 O15427 1/20 0.80

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
SCHEMBL15981815 0.93 BRD4 (0.81) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL25271529 0.93 BRD4 (0.81) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL16756661 0.93 BRD4 (0.75) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL15981816 0.92 BRD4 (0.80) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL14757043 0.92 BRD4 (0.80) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL1817329 0.92 BRD4 (0.79) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL16948393 0.92 BRD4 (0.79) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL14757289 0.92 BRD4 (0.81) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL15981814 0.92 BRD4 (0.81) BRD4SMCHD1MYO1GAIPAP3B1
SCHEMBL15980892 0.91 BRD4 (0.85) BRD4SMCHD1MYO1GAIPAP3B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496582-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GlaxoSmithKline LLC (US) 2012-09-12 — — EP disclosed
EP-2496235-A1 BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES GlaxoSmithKline LLC (US) 2012-09-12 — — EP disclosed
EP-2496558-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 — — EP disclosed
EP-2496945-A1 NOVEL PROCESS GlaxoSmithKline LLC (US) 2012-09-12 — — EP disclosed
WO-2011054843-A1 BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
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