SCHEMBL5158006

SCHEMBL5158006

COc1ccc(-c2[nH]c3cc(Cl)c(C)cc3c2C=C(C#N)C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRKAB2 O43741 3/20 0.38
PRKAG1 P54619 3/20 0.38
PRKAA2 P54646 3/20 0.38
PRKAA1 Q13131 3/20 0.38
PRKAG3 Q9UGI9 3/20 0.38
PRKAG2 Q9UGJ0 3/20 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
SCHEMBL5155216 0.84 MAOA (0.48) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5157543 0.83 KDM4E (0.47) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158471 0.82 MAOA (0.45) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158018 0.81 MAOA (0.43) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158461 0.80 KMT2A (0.50) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5157388 0.80 KDM4E (0.48) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5159722 0.78 MAOA (0.43) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158044 0.77 TUBB4A (0.59) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5289407 0.75 TUBB4A (0.68) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5157286 0.74 TUBB4A (0.64) MAOAMAOBKDM4EMAPTALDH1A1

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
WO-2007010044-A1 3-INDOLYLMETHYLENE DERIVATIVES WITH CYTOSTATIC ACTION UNIVERSITAET REGENSBURG (DE) 2007-01-25 WO disclosed
EP-1746087-A1 Derivates of 3-indolylmethylene having cytostatic properties Universitaet Regensburg (DE) 2007-01-24 EP disclosed