SCHEMBL23285264

SCHEMBL23285264

C=C(CC(C)C1=C(C)C(CCC)(CCC)c2cc(C(=O)c3cccs3)ccc21)C(=O)/C(=N/OC(C)=O)c1ccccc1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CTNNB1 P35222 1/20 0.30
▸ WNT3A P56704 1/20 0.30

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
SCHEMBL18123002 0.82 PDK2 (0.41) PKMPDK2MAPTCYP1A2CYP2C9
SCHEMBL18122991 0.78 PDK2 (0.42) PKMPDK2MAPTCYP1A2CYP2C9
SCHEMBL23552870 0.72 PKM (0.37) PKMPDK2MAPTCYP1A2CYP2C9
SCHEMBL18122992 0.71 ALDH1A1 (0.34) MAPTRAB9A
SCHEMBL17084350 0.70 ALDH1A1 (0.36) PKMPDK2MAPTRAB9A
SCHEMBL29789550 0.70 ALDH1A1 (0.36) PKMPDK2MAPTRAB9A
SCHEMBL17056227 0.70 ALDH1A1 (0.36) PKMPDK2MAPTRAB9A
SCHEMBL17877627 0.70 ALDH1A1 (0.36) PKMPDK2MAPTRAB9A
SCHEMBL25911827 0.70 PDK2 (0.35) PDK2MAPTRAB9A
SCHEMBL18123006 0.69 PDK2 (0.33) PDK2RAB9A

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
EP-3812805-A1 LIQUID COMPOSITION, QUANTUM DOT-CONTAINING FILM, OPTICAL FILM, LUMINESCENT DISPLAY ELEMENT PANEL, AND LUMINESCENT DISPLAY DEVICE TOKYO OHKA KOGYO CO., LTD. (JP) 2021-04-28 — — EP disclosed
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