SCHEMBL28979837

SCHEMBL28979837

Oc1ccc(NI)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.52
▸ TTR P02766 2/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ TNIK Q9UKE5 1/20 0.42
▸ ESR1 P03372 7/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ESR2 Q92731 5/20 0.41
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL13174008 0.79 HSD17B10 (0.54) HSD17B10TTRCYP3A4HPGDCRHBP
SCHEMBL20375319 0.74 ADRA2A (0.44) HSD17B10CA1CA2CA9CAMK2A
SCHEMBL3717777 0.72 PDK1 (0.55) HSD17B10TTRCYP3A4PDK1PDK2
SCHEMBL7003540 0.71 ALDH1A1 (0.65) HSD17B10TTRCYP3A4HPGDTNIK
SCHEMBL3323425 0.71 CA1 (0.58) HSD17B10CYP3A4HPGDPDK1PDK2
SCHEMBL29264920 0.71 S1PR1 (0.48) HSD17B10TTRPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL2541874 0.70 PDK1 (0.45) HSD17B10TTRPDK1PDK2PDK3
SCHEMBL11222456 0.70 HSD17B10 (0.43) HSD17B10TTRPDK1PDK2PDK3
SCHEMBL11546782 0.70 HSD17B10 (0.43) HSD17B10TTRPDK1PDK2PDK3
SCHEMBL224868 0.69 — —

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-115872906-A Levatinib impurity and preparation method thereof 山东铂源药业股份有限公司 2023-03-31 — — CN claimed
CN-115872906-A Levatinib impurity and preparation method thereof 山东铂源药业股份有限公司 2023-03-31 — — CN disclosed
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