SCHEMBL5159722

SCHEMBL5159722

COc1ccc(-c2[nH]c3cc(C(C)C)ccc3c2C=C(C#N)C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 3/20 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
KIF11 P52732 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 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
SCHEMBL5155216 0.89 MAOA (0.48) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158018 0.83 MAOA (0.43) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158461 0.83 KMT2A (0.50) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5159539 0.82 KIF11 (0.43) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5157543 0.79 KDM4E (0.47) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158006 0.78 MAOA (0.48) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5157388 0.78 KDM4E (0.48) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5158044 0.74 TUBB4A (0.59) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5289407 0.73 TUBB4A (0.68) MAOAMAOBKDM4EMAPTALDH1A1
SCHEMBL5161307 0.72 TUBB4A (0.46) KDM4EMAPTALDH1A1CYP1A2HPGD

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