SCHEMBL31474566

SCHEMBL31474566

O=C(O)c1cc(F)c(F)cn1.[Ir]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.68
▸ ASPH Q12797 3/20 0.68
▸ KDM8 Q8N371 2/20 0.68
▸ KMO O15229 8/20 0.46
▸ P4HTM Q9NXG6 5/20 0.42
▸ P4HA1 P13674 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ TET3 O43151 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ BBOX1 O75936 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ TET2 Q6N021 1/20 0.41
▸ ALKBH5 Q6P6C2 1/20 0.41
▸ KDM7A Q6ZMT4 1/20 0.41
▸ TET1 Q8NFU7 1/20 0.41

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
SCHEMBL27164868 0.98 KDM4E (0.70) KDM4EASPHKDM8KMOP4HTM
SCHEMBL31220823 0.81 KDM4E (0.66) KDM4EASPHKDM8KMOP4HTM
SCHEMBL21989487 0.79 KDM4E (0.63) KDM4EASPHKDM8KMOP4HTM
SCHEMBL21633969 0.79 KDM4E (0.63) KDM4EASPHKDM8KMOP4HTM
SCHEMBL31032199 0.78 KDM4E (0.61) KDM4EASPHKDM8KMOP4HTM
SCHEMBL12235269 0.76 KDM4E (0.59) KDM4EASPHKDM8KMOP4HTM
SCHEMBL29272367 0.76 ASPH (0.64) KDM4EASPHKDM8KMOP4HTM
SCHEMBL29011990 0.75 KDM4E (0.58) KDM4EASPHKDM8KMOP4HTM
SCHEMBL27164886 0.75 KDM4E (0.53) KDM4EASPHKDM8KMOP4HTM
SCHEMBL26120504 0.72 KMO (0.51) KDM4EASPHKDM8KMOP4HTM

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-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 — — CN claimed
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 — — CN disclosed
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