SCHEMBL7361865

SCHEMBL7361865

COC(=O)CNCC(c1cccc(C#N)c1)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.41
KCNA5 P22460 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSA P10619 3/20 0.36
LMNA P02545 1/20 0.36
TNF P01375 1/20 0.35

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
SCHEMBL31477970 0.72 KMT2A (0.52) KCNA5ALDH1A1L3MBTL1
SCHEMBL6288702 0.69 KCNA5 (0.53) GPR139KCNA5EGLN1CNR1CNR2
SCHEMBL24387800 0.68 KCNA5 (0.52) GPR139KCNA5EGLN1CNR1CNR2
SCHEMBL6166510 0.68 KMT2A (0.47) GPR139CNR1CNR2ALDH1A1HTT
SCHEMBL7361912 0.67 FFAR1 (0.53) GPR139KCNA5CNR1CNR2HTT
SCHEMBL7365375 0.66 F10 (0.56) ALDH1A1
SCHEMBL9779966 0.66 ALDH1A1 (0.58) EGLN1ALDH1A1HTTL3MBTL1LMNA
SCHEMBL7116483 0.66 GSK3B (0.49) GPR139KCNA5CNR1CNR2ALDH1A1
SCHEMBL7363315 0.65 F10 (0.60) KCNA5
SCHEMBL7686273 0.65 KCNA5 (0.47) GPR139KCNA5EGLN1CNR1CNR2

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-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed