SCHEMBL28436668

SCHEMBL28436668

O=C(Oc1c(Cl)cc(Cl)cc1Cl)C(C(=O)Oc1c(Cl)cc(Cl)cc1Cl)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACP3 P15309 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNB1 Q02641 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL1273899 0.87 SRC (0.42) MEN1KMT2AL3MBTL1
SCHEMBL28328822 0.87 CES2 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19892726 0.87 L3MBTL1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21061039 0.85 CA1 (0.36) KMT2ASMN1; SMN2
SCHEMBL12477325 0.83 CES2 (0.47) MEN1KMT2AACP3
SCHEMBL28332952 0.81 SRC (0.48) MEN1KMT2AL3MBTL1
SCHEMBL15671624 0.81 P2RX1 (0.40) —
SCHEMBL28327522 0.77 PPARG (0.47) MEN1KMT2AACP3
SCHEMBL15811721 0.77 KMT2A (0.61) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20897901 0.76 RAB9A (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
CN-110452238-B Pyrimidinium compounds and uses thereof 东莞市东阳光农药研发有限公司 2020-08-11 — — CN disclosed
Send feedback