SCHEMBL29980924

SCHEMBL29980924

Cn1nc(C(F)(F)F)cc1Oc1cc(I)cc(Oc2cc(C(F)(F)F)n(C)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.40
TGFBR1 P36897 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3678419 1.00 KMT2A (0.41) KMT2APKMTGFBR1ADORA2AADORA1
SCHEMBL5226326 0.90 KMT2A (0.43) KMT2APKMTGFBR1ADORA2AADORA1
SCHEMBL29981407 0.88 KMT2A (0.46) KMT2APKMTGFBR1ADORA2AADORA1
SCHEMBL3672964 0.88 KMT2A (0.46) KMT2APKMTGFBR1ADORA2AADORA1
SCHEMBL3672424 0.78 KMT2A (0.39) KMT2APKMTGFBR1ADORA2AADORA1
SCHEMBL6281244 0.74 ADORA2A (0.50) KMT2APKMTGFBR1ADORA2AADORA1
SCHEMBL5227796 0.74 KMT2A (0.51) KMT2ATGFBR1ADORA2AADORA1NPC1
SCHEMBL3385215 0.73 TGFBR1 (0.38) KMT2APKMTGFBR1ADORA2AADORA1
SCHEMBL5221402 0.72 KMT2A (0.47) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL7077095 0.71 KMT2A (0.46) KMT2ATGFBR1ADORA2AADORA1ALDH1A1

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
EP-4094580-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL) ARYL CARBOXYLIC ACID AMIDES Bayer CropScience Aktiengesellschaft (DE) 2022-11-30 EP claimed
EP-4094580-A1 HERBICIDAL COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL) ARYL CARBOXYLIC ACID AMIDES Bayer CropScience Aktiengesellschaft (DE) 2022-11-30 EP disclosed