SCHEMBL8874746

SCHEMBL8874746

CCC(C)(C#N)NC(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
P2RX7 Q99572 1/20 0.32
PSMB5 P28074 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL8862858 0.82 HPGD (0.41) HPGDLMNAALDH1A1P2RX7PSMB5
SCHEMBL8874342 0.73 HPGD (0.38) HPGDL3MBTL1TSHRKDM4ELMNA
SCHEMBL13527326 0.73 SMN1; SMN2 (0.37) HPGDL3MBTL1TSHRKDM4ELMNA
SCHEMBL9593911 0.72 HPGD (0.36) HPGDL3MBTL1TSHRLMNAALDH1A1
SCHEMBL15663547 0.71 ALDH1A1 (0.32) HPGDL3MBTL1TSHRALDH1A1HTT
SCHEMBL8862800 0.71 P2RX7 (0.39) HPGDLMNAALDH1A1P2RX7PSMB5
SCHEMBL4241666 0.71 HPGD (0.42) HPGDL3MBTL1TSHRLMNAP2RX7
SCHEMBL27413944 0.71 HPGD (0.32) HPGDL3MBTL1HTT
SCHEMBL12138489 0.70 ANO1 (0.38) L3MBTL1LMNAALDH1A1
SCHEMBL12845244 0.70 PSMB5 (0.40) L3MBTL1LMNAPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6220004-A None JP disclosed
US-5672718-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
EP-0595130-B1 N-phenylacetaminonitriles and their use as intermediates for the synthesis of insecticidal and herbicidal 3-aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1996-07-03 EP disclosed
US-5508436-A INTERMEDIATES FOR PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
JP-H06220004-A N-PHENYLACETAMINO NITRILES BAYER AG 1994-08-09 JP disclosed
EP-0595130-A1 N-phenylacetaminonitriles and their use as intermediates for the synthesis of insecticidal and herbicidal 3-aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1994-05-04 EP disclosed