SCHEMBL7968360

SCHEMBL7968360

CCCCCNC(=O)c1cncc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.56
KDM4E B2RXH2 6/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 3/20 0.54
GAA P10253 1/20 0.54
CNR1 P21554 1/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX15 P16050 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HCAR2 Q8TDS4 1/20 0.47
PHF13 Q86YI8 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
KMT2A Q03164 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL4411412 0.83 HCAR2 (0.55) KDM4EATMPOLBGAAALDH1A1
SCHEMBL22753440 0.82 L3MBTL1 (0.67) NAAAKDM4EATMPOLBGAA
SCHEMBL13437116 0.81 NAAA (0.58) NAAAKDM4EATMPOLBGAA
SCHEMBL13402582 0.79 ALDH1A1 (0.57) NAAAKDM4EATMPOLBGAA
SCHEMBL6543983 0.78 SMN1; SMN2 (0.71) NAAAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL13918750 0.77 KDM4E (0.57) KDM4EATMPOLBGAAALDH1A1
SCHEMBL11147008 0.77 CNR1 (0.60) NAAAKDM4ECNR1ALDH1A1L3MBTL1
SCHEMBL9979205 0.77 SMN1; SMN2 (0.70) NAAAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL13509604 0.76 L3MBTL1 (0.71) NAAAALDH1A1L3MBTL1CYP1A2SMN1; SMN2
SCHEMBL11549552 0.76 NAAA (0.52) NAAAKDM4EATMCNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed