SCHEMBL27599166

SCHEMBL27599166

CCn1c2ccccc2c2cc(NC(=O)C3CC(=O)N(c4ccccc4OC)C3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.64
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 8/20 0.56
MAPT P10636 8/20 0.56
HPGD P15428 6/20 0.56
LMNA P02545 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HCRTR1 O43613 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL5842278 0.87 MAPT (0.54) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL5842206 0.86 MAPT (0.53) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL5842917 0.86 MAPT (0.53) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL5841644 0.86 MAPT (0.61) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL5842506 0.86 MAPT (0.53) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL5842465 0.85 NPSR1 (0.56) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL27617658 0.84 MEN1 (0.62) POLBKDM4EMAPTLMNASMN1; SMN2
SCHEMBL5841789 0.83 SMN1; SMN2 (0.58) POLBALDH1A1KDM4EMAPTLMNA
SCHEMBL5841833 0.82 MAPT (0.53) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL5842953 0.81 TP53 (0.61) POLBALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN claimed
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN claimed
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN disclosed