SCHEMBL22898034

SCHEMBL22898034

O=[N+]([O-])c1ccc(Cl)cc1COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIN1 Q13526 2/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
CYP2C9 P11712 1/20 0.43
KIF18A Q8NI77 1/20 0.43

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
SCHEMBL28960511 0.89 TSHR (0.56) MEN1KMT2ATSHRMAPK1NPC1
SCHEMBL22898041 0.89 CYP1A2 (0.49) MEN1KMT2ATSHRMAPK1CYP1A2
SCHEMBL9510619 0.82 MEN1 (0.54) MEN1KMT2ATSHRMAPK1CYP1A2
SCHEMBL22898040 0.82 ALDH1A1 (0.53) MEN1KMT2ATSHRHPGDPIN1
SCHEMBL19622954 0.78 CYP1A2 (0.54) MEN1KMT2ATSHRMAPK1CYP1A2
SCHEMBL8672761 0.78 MEN1 (0.45) MEN1KMT2ATSHRMAPK1CYP1A2
SCHEMBL31615072 0.78 MEN1 (0.45) MEN1KMT2ATSHRMAPK1CYP1A2
SCHEMBL11101606 0.78 MEN1 (0.45) MEN1KMT2ATSHRMAPK1CYP1A2
SCHEMBL863252 0.77 TSHR (0.53) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL7393468 0.77 TSHR (0.54) MEN1KMT2ATSHRCYP3A4HPGD

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