SCHEMBL22897679

SCHEMBL22897679

O=C(CCl)Nc1ccccc1N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.68
KMT2A Q03164 6/20 0.68
GAA P10253 2/20 0.68
PKM P14618 1/20 0.68
NPSR1 Q6W5P4 4/20 0.65
LMNA P02545 2/20 0.65
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
POLB P06746 2/20 0.61
MEN1 O00255 3/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.60
ATM Q13315 2/20 0.60
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60

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
SCHEMBL29559749 1.00 KCNQ2 (0.68) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL5903997 0.85 ALDH1A1 (0.71) KMT2AGAALMNATSHRL3MBTL1
SCHEMBL29957640 0.85 KMT2A (0.72) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL29955086 0.83 KCNQ2 (0.74) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL29957211 0.82 KMT2A (0.68) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL13167010 0.81 KCNQ2 (1.00) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL29951675 0.81 KCNQ2 (0.70) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL28689282 0.80 ALDH1A1 (0.55) KCNQ2KMT2AGAANPSR1LMNA
SCHEMBL2555188 0.80 KMT2A (0.65) KCNQ2KMT2AGAAPKMNPSR1
SCHEMBL16804882 0.80 ALDH1A1 (0.64) KCNQ2KMT2AGAAPKMNPSR1

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed