SCHEMBL21137744

SCHEMBL21137744

O=C(Oc1ccccc1)C(c1ccccc1)C1C=C(c2ncc(C(F)(F)F)cc2Cl)C=CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LIPE Q05469 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL21061051 0.73 MAPK1 (0.46) GAAMAPTLIPEHPGDGLA
SCHEMBL21137794 0.71 GAA (0.40) GAAMAPTHPGDGLAMEN1
SCHEMBL21137745 0.69 L3MBTL1 (0.49) GAACYP2C19HPGDMEN1KMT2A
SCHEMBL21061056 0.67 ALDH1A1 (0.48) MAPTLIPEHPGDGLAMEN1
SCHEMBL22783988 0.61 SMN1; SMN2 (0.53) GAAMAPTHPGDMEN1KMT2A
SCHEMBL4189721 0.61 ALDH1A1 (0.56) GAAMAPTHPGDGLAMEN1
SCHEMBL28497341 0.61 KMT2A (0.56) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8812412 0.61 KMT2A (0.56) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL27569580 0.61 KMT2A (0.56) GAAMAPTCYP2C9CYP2C19MEN1
SCHEMBL27569583 0.61 KMT2A (0.56) GAAMAPTCYP2C9CYP2C19MEN1

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-2019115404-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-20 — — WO disclosed
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