SCHEMBL30309831

SCHEMBL30309831

O=C(Oc1c(F)cc(F)cc1F)C1CC[NH+]([O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
Iodide SCHEMBL31003056 0.78 HTR1F (0.43) TDP1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28931967 0.72 KMT2A (0.49) TDP1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL7232907 0.71 L3MBTL1 (0.49) KMT2AL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL15939815 0.70 KMT2A (0.37) TDP1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL18697364 0.69 CES2 (0.43) KMT2ACES2CES1GAA
SCHEMBL376597 0.69 ERN1 (0.45) KMT2ACES2CES1GAA
SCHEMBL5272075 0.69 CES2 (0.43) KMT2ACES2CES1GAA
SCHEMBL28681472 0.69 KMT2A (0.52) TDP1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL11035678 0.68 POLB (0.54) TDP1KMT2AHTTSMN1; SMN2L3MBTL1
SCHEMBL28672390 0.68 L3MBTL1 (0.51) TDP1KMT2AHTTSMN1; SMN2L3MBTL1

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-111447939-B Method for preparing conjugate 四川科伦博泰生物医药股份有限公司 2024-07-12 — — CN disclosed
CN-110090308-B Method for preparing conjugate 四川科伦博泰生物医药股份有限公司 2023-03-24 — — CN disclosed
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